ChemDiv1_009112
TL;DR: ChemDiv1_009112 (CAS 315697-13-3) is a chemical compound with molecular formula C17H14N4OS3 and molecular weight 386.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanothiophen-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
Also Known As: ChemDiv1_009112, AF-399/40654117, F1174-2801, N-(3-cyanothiophen-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide, N-(3-cyanothiophen-2-yl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide
| Molecular Formula | C17H14N4OS3 |
|---|---|
| Molecular Weight | 386.03 g/mol |
| LogP | 4.23408 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.033 |
| Heavy Atoms | 25 |
| Complexity | 985.598 |
Chemical Identifiers
| CAS Number | 315697-13-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)NC4=C(C=CS4)C#N |
Product Overview
ChemDiv1_009112 (CAS 315697-13-3), with molecular formula C17H14N4OS3 and molecular weight 386.03 g/mol. IUPAC: N-(3-cyanothiophen-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide.
Chemical Property Profile of ChemDiv1_009112
Property Insights of ChemDiv1_009112
The XLogP value of 4.23408 indicates that ChemDiv1_009112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009112. Following Lipinski's Rule of Five, ChemDiv1_009112 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_009112?
The CAS number of ChemDiv1_009112 is 315697-13-3.
What is the molecular formula of ChemDiv1_009112?
The molecular formula of ChemDiv1_009112 is C17H14N4OS3.
What is the molecular weight of ChemDiv1_009112?
The molecular weight of ChemDiv1_009112 is 386.03 g/mol.
Where can I buy ChemDiv1_009112?
You can request a quote for ChemDiv1_009112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009112?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.