For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
294930
Exact Mass
400.163436
InChIKey
YJQURCNBCROTGE-UHFFFAOYSA-N
SMILES String
COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)NC(=O)OCc1ccccc1
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Catalog navigation
Related Catalog Entries
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
What are the key identifiers for Methyl 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate (CAS 17554-28-8)?
Methyl 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate is identified by CAS 17554-28-8, with molecular formula C21H24N2O6, molecular weight 400.4, InChIKey YJQURCNBCROTGE-UHFFFAOYSA-N.
Can I request a COA for CAS 17554-28-8?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Methyl 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 17554-28-8 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.
Show calculated structure fields
Heavy atom count
29
H-bond acceptors
8
H-bond donors
3
Rotatable bonds
8
Ring count
2
Aromatic rings
2
Topological polar surface area
113.96 Ų
Computed LogP
1.91
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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
Methyl 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate (CAS 17554-28-8) is maintained as a commercial cas reference with formula C21H24N2O6, molecular weight 400. 40 g/mol, PubChem CID 294930.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
![Methyl 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate molecular structure, CAS 17554-28-8](/structure-images/17554-28-8.png?v=struct-v2)