4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate
TL;DR: 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate (CAS 175135-38-3) is a chemical compound with molecular formula C14H10ClNO3S and molecular weight 307.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(cyanomethyl)phenyl] 4-chlorobenzenesulfonate
Also Known As: 4-(cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate, Maybridge1_001593, [4-(cyanomethyl)phenyl] 4-chlorobenzenesulfonate, 4-(cyanomethyl)phenyl 4-chlorobenzenesulfonate, Benzenesulfonic acid, 4-chloro-, 4-(cyanomethyl)phenyl ester
| Molecular Formula | C14H10ClNO3S |
|---|---|
| Molecular Weight | 307.01 g/mol |
| LogP | 3.17378 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.007 |
| Heavy Atoms | 20 |
| Complexity | 731.48364 |
Chemical Identifiers
| CAS Number | 175135-38-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)OS(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate (CAS 175135-38-3), with molecular formula C14H10ClNO3S and molecular weight 307.01 g/mol. IUPAC: [4-(cyanomethyl)phenyl] 4-chlorobenzenesulfonate.
Chemical Property Profile of 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate
Property Insights of 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate
The XLogP value of 3.17378 indicates that 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate. Following Lipinski's Rule of Five, 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate 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 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate?
The CAS number of 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate is 175135-38-3.
What is the molecular formula of 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate?
The molecular formula of 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate is C14H10ClNO3S.
What is the molecular weight of 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate?
The molecular weight of 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate is 307.01 g/mol.
Where can I buy 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate?
You can request a quote for 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Cyanomethyl)phenyl 4-chlorobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.