N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide (CAS 851444-78-5) is a chemical compound with molecular formula C12H12N6OS and molecular weight 288.08 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-(tetrazol-1-yl)acetamide
Also Known As: A4038/0172140, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(1H-tetrazol-1-yl)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1H-tetrazol-1-yl)acetamide, N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-2-(1H-1,2,3,4-TETRAZOL-1-YL)ACETAMIDE
| Molecular Formula | C12H12N6OS |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 1.12378 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0793 |
| Heavy Atoms | 20 |
| Complexity | 668.9242 |
Chemical Identifiers
| CAS Number | 851444-78-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=NN=N3)C#N |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide (CAS 851444-78-5), with molecular formula C12H12N6OS and molecular weight 288.08 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide
The XLogP value of 1.12378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide 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-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide is 851444-78-5.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide is C12H12N6OS.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide is 288.08 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tetrazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.