![[Cyano(phenyl)methyl] benzenesulfonate structure](/static/products/2533/25335-74-4.webp)
[Cyano(phenyl)methyl] benzenesulfonate
TL;DR: [Cyano(phenyl)methyl] benzenesulfonate (CAS 25335-74-4) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano(phenyl)methyl] benzenesulfonate
Also Known As: cyanobenzyl benzenesulfonate, cyano(phenyl)methyl benzenesulfonate, [cyano(phenyl)methyl] benzenesulfonate, (cyano-phenylmethyl) benzenesulfonate, benzenesulfonyloxy-phenyl-acetonitrile
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 25335-74-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)OS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | YKDVEHLIKZSIDU-UHFFFAOYSA-N |
Product Overview
[Cyano(phenyl)methyl] benzenesulfonate (CAS 25335-74-4), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: [cyano(phenyl)methyl] benzenesulfonate.
Chemical Property Profile of [Cyano(phenyl)methyl] benzenesulfonate
Property Insights of [Cyano(phenyl)methyl] benzenesulfonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [Cyano(phenyl)methyl] benzenesulfonate. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [Cyano(phenyl)methyl] benzenesulfonate. Following Lipinski's Rule of Five, [Cyano(phenyl)methyl] benzenesulfonate has 0 hydrogen bond donor(s) and 4 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 [Cyano(phenyl)methyl] benzenesulfonate?
The CAS number of [Cyano(phenyl)methyl] benzenesulfonate is 25335-74-4.
What is the molecular formula of [Cyano(phenyl)methyl] benzenesulfonate?
The molecular formula of [Cyano(phenyl)methyl] benzenesulfonate is C14H11NO3S.
What is the molecular weight of [Cyano(phenyl)methyl] benzenesulfonate?
The molecular weight of [Cyano(phenyl)methyl] benzenesulfonate is 273.05 g/mol.
Where can I buy [Cyano(phenyl)methyl] benzenesulfonate?
You can request a quote for [Cyano(phenyl)methyl] benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Cyano(phenyl)methyl] benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [Cyano(phenyl)methyl] benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.