Research chemical
Caffeic Acid Phenethyl Ester
CAS Number: 100981-80-4
Product details
Identity & specification
- Molecular formula
- C17H16O4
- Molecular weight
- 284.31 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
5281787
Exact Mass
284.104859
InChIKey
SWUARLUWKZWEBQ-VQHVLOKHSA-N
IUPAC Name
2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES String
O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1
Physical Properties
No physical property values available.
Show more physical data
XLogP
4.2
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
21
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
5
Ring count
2
Aromatic rings
2
Topological polar surface area
66.76 Ų
Computed LogP
2.9
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
Caffeic Acid Phenethyl Ester (CAS 100981-80-4) is listed in the Advanced Chemicals portfolio, with molecular formula C17H16O4 and molecular weight 284. 31 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows.
Documentation needs
Consult the supplier SDS before handling; For research use only.
Applications & Classification
Biological target reference
ChEMBL reports experimental activity evidence for: Aldo-keto reductase family 1 member B10 (Homo sapiens) — 4 assays; Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens) — 2 assays; Aldo-keto reductase family 1 member B1 (Homo sapiens) — 3 assays; Serine/threonine-protein kinase mTOR (Homo sapiens) — 3 assays; Prostaglandin G/H synthase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Aldo-keto reductase family 1 member B10
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 3 documents · best pChEMBL 7.34
Experimental evidence source: ChEMBL
Polyunsaturated fatty acid lipoxygenase ALOX15
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.89
Experimental evidence source: ChEMBL
Aldo-keto reductase family 1 member B1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 6.24
Experimental evidence source: ChEMBL
Serine/threonine-protein kinase mTOR
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 6.18
Experimental evidence source: ChEMBL
Prostaglandin G/H synthase 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.08
Experimental evidence source: ChEMBL
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for Caffeic Acid Phenethyl Ester (CAS 100981-80-4)?
Caffeic Acid Phenethyl Ester is identified by CAS 100981-80-4, with molecular formula C17H16O4, molecular weight 284.31, InChIKey SWUARLUWKZWEBQ-VQHVLOKHSA-N.
Does CAS 100981-80-4 have reported biological target evidence?
ChEMBL contains qualifying experimental assay evidence associated with Aldo-keto reductase family 1 member B10, Polyunsaturated fatty acid lipoxygenase ALOX15, Aldo-keto reductase family 1 member B1, Serine/threonine-protein kinase mTOR, Prostaglandin G/H synthase 1. These records do not establish therapeutic efficacy or clinical use.
Can I request a COA for CAS 100981-80-4?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Caffeic Acid Phenethyl Ester?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 100981-80-4 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.