Research chemical
CAS Number: 1014029-08-3
![methyl 2-[3-methyl-2,6-dioxo-7-(prop-2-en-1-yl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate molecular structure, CAS 1014029-08-3](/structure-images/1014029-08-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16856174
Exact Mass
386.170253
InChIKey
QBTIFMSYECWINS-UHFFFAOYSA-N
IUPAC Name
methyl 2-[3-methyl-2,6-dioxo-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]acetate
SMILES String
C=CCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CC(=O)OC)c(=O)n2C
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
methyl 2-[3-methyl-2,6-dioxo-7-(prop-2-en-1-yl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate is identified by CAS 1014029-08-3, with molecular formula C18H22N6O4, molecular weight 386.4, InChIKey QBTIFMSYECWINS-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
XLogP
1.7
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
28
H-bond acceptors
10
H-bond donors
0
Rotatable bonds
5
Ring count
3
Aromatic rings
3
Topological polar surface area
105.94 Ų
Computed LogP
0.37
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.
Structural features
methyl 2-[3-methyl-2,6-dioxo-7-(prop-2-en-1-yl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate (CAS 1014029-08-3) is an English MolGraph catalog reference, molecular formula C18H22N6O4 and molecular weight 386. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Safety and handling reference content is available through documentation requests.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.