4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride
TL;DR: 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride (CAS 175136-72-8) is a chemical compound with molecular formula C13H7Cl2NO3S and molecular weight 326.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride
Also Known As: 4-(3-Chloro-2-Cyanophenoxy)Benzene-1-Sulfonyl Chloride, 4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride, 4-(3-Carboxyprop-2-enoylamino)benzoic acid, 4-(3-chloro-2-cyano-phenoxy)benzenesulfonyl Chloride, Benzenesulfonylchloride, 4-(3-chloro-2-cyanophenoxy)-
| Molecular Formula | C13H7Cl2NO3S |
|---|---|
| Molecular Weight | 326.95 g/mol |
| LogP | 3.93148 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.95236 |
| Heavy Atoms | 20 |
| Complexity | 780.25385 |
Chemical Identifiers
| CAS Number | 175136-72-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C#N)OC2=CC=C(C=C2)S(=O)(=O)Cl |
Product Overview
4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride (CAS 175136-72-8), with molecular formula C13H7Cl2NO3S and molecular weight 326.95 g/mol. IUPAC: 4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride.
Chemical Property Profile of 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride
Property Insights of 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride
The XLogP value of 3.93148 indicates that 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride 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-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride. Following Lipinski's Rule of Five, 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride 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-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride?
The CAS number of 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride is 175136-72-8.
What is the molecular formula of 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride?
The molecular formula of 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride is C13H7Cl2NO3S.
What is the molecular weight of 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride?
The molecular weight of 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride is 326.95 g/mol.
Where can I buy 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride?
You can request a quote for 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.