4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile
TL;DR: 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile (CAS 871262-40-7) is a chemical compound with molecular formula C13H9N5OS and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]benzonitrile
Also Known As: 4-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]benzonitrile, 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile
| Molecular Formula | C13H9N5OS |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 1.41048 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0528 |
| Heavy Atoms | 20 |
| Complexity | 807.8162 |
Chemical Identifiers
| CAS Number | 871262-40-7 |
|---|---|
| SMILES | C1=CSC(=C1)N2C(=O)N(N=N2)CC3=CC=C(C=C3)C#N |
Product Overview
4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile (CAS 871262-40-7), with molecular formula C13H9N5OS and molecular weight 283.05 g/mol. IUPAC: 4-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]benzonitrile.
Chemical Property Profile of 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile
Property Insights of 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile
The XLogP value of 1.41048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile. Following Lipinski's Rule of Five, 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile has 0 hydrogen bond donor(s) and 5 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 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile?
The CAS number of 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile is 871262-40-7.
What is the molecular formula of 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile?
The molecular formula of 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile is C13H9N5OS.
What is the molecular weight of 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile?
The molecular weight of 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile is 283.05 g/mol.
Where can I buy 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile?
You can request a quote for 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((5-Oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-tetrazol-1-yl)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.