ChemDiv1_008945
TL;DR: ChemDiv1_008945 (CAS 315708-10-2) is a chemical compound with molecular formula C21H15N3O3S2 and molecular weight 421.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
Also Known As: ChemDiv1_008945, AF-399/15540411, F1174-0165, N-(2H-1,3-benzodioxol-5-yl)-2-({6-phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide, N-(1,3-benzodioxol-5-yl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C21H15N3O3S2 |
|---|---|
| Molecular Weight | 421.06 g/mol |
| LogP | 4.8178 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.05548 |
| Heavy Atoms | 29 |
| Complexity | 1194.4833 |
Chemical Identifiers
| CAS Number | 315708-10-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=NC4=C3C=C(S4)C5=CC=CC=C5 |
Product Overview
ChemDiv1_008945 (CAS 315708-10-2), with molecular formula C21H15N3O3S2 and molecular weight 421.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
Chemical Property Profile of ChemDiv1_008945
Property Insights of ChemDiv1_008945
The XLogP value of 4.8178 indicates that ChemDiv1_008945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008945. Following Lipinski's Rule of Five, ChemDiv1_008945 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_008945?
The CAS number of ChemDiv1_008945 is 315708-10-2.
What is the molecular formula of ChemDiv1_008945?
The molecular formula of ChemDiv1_008945 is C21H15N3O3S2.
What is the molecular weight of ChemDiv1_008945?
The molecular weight of ChemDiv1_008945 is 421.06 g/mol.
Where can I buy ChemDiv1_008945?
You can request a quote for ChemDiv1_008945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008945?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.