BAS 10755456
TL;DR: BAS 10755456 (CAS 876717-76-9) is a chemical compound with molecular formula C15H17N5OS2 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 10755456, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2-[(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]acetamide
| Molecular Formula | C15H17N5OS2 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 2.90988 |
| Topological Polar Surface Area | 94.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.08746 |
| Heavy Atoms | 23 |
| Complexity | 758.49567 |
Chemical Identifiers
| CAS Number | 876717-76-9 |
|---|---|
| SMILES | CCC1=NC(=NN1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
BAS 10755456 (CAS 876717-76-9), with molecular formula C15H17N5OS2 and molecular weight 347.09 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 10755456
Property Insights of BAS 10755456
The XLogP value of 2.90988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10755456. The TPSA of 94.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10755456. Following Lipinski's Rule of Five, BAS 10755456 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 BAS 10755456?
The CAS number of BAS 10755456 is 876717-76-9.
What is the molecular formula of BAS 10755456?
The molecular formula of BAS 10755456 is C15H17N5OS2.
What is the molecular weight of BAS 10755456?
The molecular weight of BAS 10755456 is 347.09 g/mol.
Where can I buy BAS 10755456?
You can request a quote for BAS 10755456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10755456?
Yes, KEHONG BIO provides custom synthesis services for BAS 10755456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.