ChemDiv1_004920
TL;DR: ChemDiv1_004920 (CAS 315239-06-6) is a chemical compound with molecular formula C18H18N4O2S2 and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
Also Known As: ChemDiv1_004920, BIM-0031840.P001, AF-399/14424001, 2-((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-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
| Molecular Formula | C18H18N4O2S2 |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 2.6669 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.08713 |
| Heavy Atoms | 26 |
| Complexity | 997.58887 |
Chemical Identifiers
| CAS Number | 315239-06-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC(=O)NCC4=CC=CC=N4 |
Product Overview
ChemDiv1_004920 (CAS 315239-06-6), with molecular formula C18H18N4O2S2 and molecular weight 386.09 g/mol. IUPAC: 2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv1_004920
Property Insights of ChemDiv1_004920
The XLogP value of 2.6669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004920. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004920. Following Lipinski's Rule of Five, ChemDiv1_004920 has 2 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_004920?
The CAS number of ChemDiv1_004920 is 315239-06-6.
What is the molecular formula of ChemDiv1_004920?
The molecular formula of ChemDiv1_004920 is C18H18N4O2S2.
What is the molecular weight of ChemDiv1_004920?
The molecular weight of ChemDiv1_004920 is 386.09 g/mol.
Where can I buy ChemDiv1_004920?
You can request a quote for ChemDiv1_004920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004920?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.