4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate
TL;DR: 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate (CAS 175135-40-7) is a chemical compound with molecular formula C14H9Cl2NO3S and molecular weight 340.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(cyanomethyl)phenyl] 3,5-dichlorobenzenesulfonate
Also Known As: Maybridge1_001681, 4-(cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate, PYRIMIDINE, 2,5-DICHLORO-, [4-(cyanomethyl)phenyl] 3,5-dichlorobenzenesulfonate, 4-(cyanomethyl)phenyl 3,5-dichlorobenzenesulfonate
| Molecular Formula | C14H9Cl2NO3S |
|---|---|
| Molecular Weight | 340.97 g/mol |
| LogP | 3.82718 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.96802 |
| Heavy Atoms | 21 |
| Complexity | 775.7091 |
Chemical Identifiers
| CAS Number | 175135-40-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)OS(=O)(=O)C2=CC(=CC(=C2)Cl)Cl |
Product Overview
4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate (CAS 175135-40-7), with molecular formula C14H9Cl2NO3S and molecular weight 340.97 g/mol. IUPAC: [4-(cyanomethyl)phenyl] 3,5-dichlorobenzenesulfonate.
Chemical Property Profile of 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate
Property Insights of 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate
The XLogP value of 3.82718 indicates that 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-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 3,5-dichlorobenzene-1-sulfonate. Following Lipinski's Rule of Five, 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-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 3,5-dichlorobenzene-1-sulfonate?
The CAS number of 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate is 175135-40-7.
What is the molecular formula of 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate?
The molecular formula of 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate is C14H9Cl2NO3S.
What is the molecular weight of 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate?
The molecular weight of 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate is 340.97 g/mol.
Where can I buy 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate?
You can request a quote for 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-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 3,5-dichlorobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Cyanomethyl)phenyl 3,5-dichlorobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.