ChemDiv1_005192
TL;DR: ChemDiv1_005192 (CAS 327094-59-7) is a chemical compound with molecular formula C19H20N4O2S2 and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
Also Known As: ChemDiv1_005192, BAS 03352717, AF-399/40712664, 2-((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-ylmethyl)acetamide, 2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
| Molecular Formula | C19H20N4O2S2 |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 2.6773 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.10278 |
| Heavy Atoms | 27 |
| Complexity | 1043.2845 |
Chemical Identifiers
| CAS Number | 327094-59-7 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=CC=N3)SC4=C2CCCC4 |
Product Overview
ChemDiv1_005192 (CAS 327094-59-7), with molecular formula C19H20N4O2S2 and molecular weight 400.10 g/mol. IUPAC: 2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv1_005192
Property Insights of ChemDiv1_005192
The XLogP value of 2.6773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005192. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005192. Following Lipinski's Rule of Five, ChemDiv1_005192 has 1 hydrogen bond donor(s) and 6 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_005192?
The CAS number of ChemDiv1_005192 is 327094-59-7.
What is the molecular formula of ChemDiv1_005192?
The molecular formula of ChemDiv1_005192 is C19H20N4O2S2.
What is the molecular weight of ChemDiv1_005192?
The molecular weight of ChemDiv1_005192 is 400.10 g/mol.
Where can I buy ChemDiv1_005192?
You can request a quote for ChemDiv1_005192 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005192?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005192 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.