N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide
TL;DR: N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide (CAS 868356-76-7) is a chemical compound with molecular formula C13H8N6OS and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide
Also Known As: N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide, N-(3-cyano-2-thienyl)-3-(tetrazol-1-yl)benzamide, N-(3-cyano-2-thiophenyl)-3-(1-tetrazolyl)benzamide, N-(3-Cyanothiophen-2-yl)-3-(1H-tetrazol-1-yl)benzamide, N-(3-cyanothiophen-2-yl)-3-(1,2,3,4-tetrazol-1-yl)benzamide
| Molecular Formula | C13H8N6OS |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 1.84778 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.04803 |
| Heavy Atoms | 21 |
| Complexity | 817.3115 |
Chemical Identifiers
| CAS Number | 868356-76-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C=NN=N2)C(=O)NC3=C(C=CS3)C#N |
Product Overview
N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide (CAS 868356-76-7), with molecular formula C13H8N6OS and molecular weight 296.05 g/mol. IUPAC: N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide.
Chemical Property Profile of N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide
Property Insights of N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide
The XLogP value of 1.84778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide. Following Lipinski's Rule of Five, N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide 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 N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide?
The CAS number of N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide is 868356-76-7.
What is the molecular formula of N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide?
The molecular formula of N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide is C13H8N6OS.
What is the molecular weight of N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide?
The molecular weight of N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide is 296.05 g/mol.
Where can I buy N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide?
You can request a quote for N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyanothiophen-2-yl)-3-(tetrazol-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.