ChemDiv1_009123
TL;DR: ChemDiv1_009123 (CAS 315710-04-4) is a chemical compound with molecular formula C25H21N3O4S2 and molecular weight 491.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: ChemDiv1_009123, F0915-6466, AF-399/40654536, N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide, 2-((3-allyl-4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(benzo[d][1,3]dioxol-5-ylmethyl)acetamide
| Molecular Formula | C25H21N3O4S2 |
|---|---|
| Molecular Weight | 491.10 g/mol |
| LogP | 4.4482 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.09735 |
| Heavy Atoms | 34 |
| Complexity | 1429.6226 |
Chemical Identifiers
| CAS Number | 315710-04-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CC=C5 |
Product Overview
ChemDiv1_009123 (CAS 315710-04-4), with molecular formula C25H21N3O4S2 and molecular weight 491.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of ChemDiv1_009123
Property Insights of ChemDiv1_009123
The XLogP value of 4.4482 indicates that ChemDiv1_009123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009123. Following Lipinski's Rule of Five, ChemDiv1_009123 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009123?
The CAS number of ChemDiv1_009123 is 315710-04-4.
What is the molecular formula of ChemDiv1_009123?
The molecular formula of ChemDiv1_009123 is C25H21N3O4S2.
What is the molecular weight of ChemDiv1_009123?
The molecular weight of ChemDiv1_009123 is 491.10 g/mol.
Where can I buy ChemDiv1_009123?
You can request a quote for ChemDiv1_009123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009123?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.