4-Chlorobenzenesulfonic acid;cyclohexylmethanamine
TL;DR: 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine (CAS 6954-19-4) is a chemical compound with molecular formula C13H20ClNO3S and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobenzenesulfonic acid;cyclohexylmethanamine
Also Known As: 4-chlorobenzenesulfonic acid,cyclohexylmethanamine, 4-chlorobenzenesulfonic acid- 1-cyclohexylmethanamine(1:1), 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine, 4-chlorobenzenesulfonic acid; cyclohexylmethanamine, 4-Chlorobenzene-1-sulfonic acid--1-cyclohexylmethanamine (1/1)
| Molecular Formula | C13H20ClNO3S |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 3.1121 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.08524 |
| Heavy Atoms | 19 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 6954-19-4 |
|---|---|
| SMILES | C1CCC(CC1)CN.C1=CC(=CC=C1S(=O)(=O)O)Cl |
| InChIKey | MGWIRMASEFALRJ-UHFFFAOYSA-N |
Product Overview
4-Chlorobenzenesulfonic acid;cyclohexylmethanamine (CAS 6954-19-4), with molecular formula C13H20ClNO3S and molecular weight 305.09 g/mol. IUPAC: 4-chlorobenzenesulfonic acid;cyclohexylmethanamine.
Chemical Property Profile of 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine
Property Insights of 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine
The XLogP value of 3.1121 indicates that 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine. Following Lipinski's Rule of Five, 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine has 2 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-Chlorobenzenesulfonic acid;cyclohexylmethanamine?
The CAS number of 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine is 6954-19-4.
What is the molecular formula of 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine?
The molecular formula of 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine is C13H20ClNO3S.
What is the molecular weight of 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine?
The molecular weight of 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine is 305.09 g/mol.
Where can I buy 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine?
You can request a quote for 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzenesulfonic acid;cyclohexylmethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.