4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile
TL;DR: 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile (CAS 309241-44-9) is a chemical compound with molecular formula C11H11N5O2S and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-phenyltetrazol-5-yl)sulfonylbutanenitrile
Also Known As: butan-2-ylhydrazine, 4-(1-phenyltetrazol-5-yl)sulfonylbutanenitrile, 4-(1-Phenyl-1H-tetrazole-5-sulfonyl)butanenitrile, 4-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]butanenitrile, Butanenitrile, 4-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]-
| Molecular Formula | C11H11N5O2S |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.06335 |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 309241-44-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)S(=O)(=O)CCCC#N |
| InChIKey | ACNDIYANAZBFHI-UHFFFAOYSA-N |
Product Overview
4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile (CAS 309241-44-9), with molecular formula C11H11N5O2S and molecular weight 277.06 g/mol. IUPAC: 4-(1-phenyltetrazol-5-yl)sulfonylbutanenitrile.
Chemical Property Profile of 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile
Property Insights of 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile. Following Lipinski's Rule of Five, 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile has 0 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 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile?
The CAS number of 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile is 309241-44-9.
What is the molecular formula of 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile?
The molecular formula of 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile is C11H11N5O2S.
What is the molecular weight of 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile?
The molecular weight of 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile is 277.06 g/mol.
Where can I buy 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile?
You can request a quote for 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.