ChemDiv1_009536
TL;DR: ChemDiv1_009536 (CAS 421577-95-9) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
Also Known As: ChemDiv1_009536, BAS 03373683, 2-((3-allyl-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide, AB00113823-01, AO-364/40761249
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 4.24562 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 1053.0518 |
Chemical Identifiers
| CAS Number | 421577-95-9 |
|---|---|
| SMILES | CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3=CC=CC=C3C |
Product Overview
ChemDiv1_009536 (CAS 421577-95-9), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide.
Chemical Property Profile of ChemDiv1_009536
Property Insights of ChemDiv1_009536
The XLogP value of 4.24562 indicates that ChemDiv1_009536 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009536. Following Lipinski's Rule of Five, ChemDiv1_009536 has 1 hydrogen bond donor(s) and 5 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_009536?
The CAS number of ChemDiv1_009536 is 421577-95-9.
What is the molecular formula of ChemDiv1_009536?
The molecular formula of ChemDiv1_009536 is C20H21N3O2S2.
What is the molecular weight of ChemDiv1_009536?
The molecular weight of ChemDiv1_009536 is 399.11 g/mol.
Where can I buy ChemDiv1_009536?
You can request a quote for ChemDiv1_009536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009536?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.