4-Chlorobutyl 2-nitrobenzenesulfonate
TL;DR: 4-Chlorobutyl 2-nitrobenzenesulfonate (CAS 441002-17-1) is a chemical compound with molecular formula C10H12ClNO5S and molecular weight 293.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobutyl 2-nitrobenzenesulfonate
Also Known As: 4-chlorobutyl 2-nitrobenzenesulfonate, 4-chlorobutyl 2-nitrobenzene-1-sulfonate, 4-Chlorobutyl=2-nitrobenzenesulfonate, 1-(4-chlorobutoxysulfonyl)-2-nitro-benzene, J1.641.728I
| Molecular Formula | C10H12ClNO5S |
|---|---|
| Molecular Weight | 293.01 g/mol |
| LogP | 2.3191 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 293.01248 |
| Heavy Atoms | 18 |
| Complexity | 516.7543 |
Chemical Identifiers
| CAS Number | 441002-17-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OCCCCCl |
Product Overview
4-Chlorobutyl 2-nitrobenzenesulfonate (CAS 441002-17-1), with molecular formula C10H12ClNO5S and molecular weight 293.01 g/mol. IUPAC: 4-chlorobutyl 2-nitrobenzenesulfonate.
Chemical Property Profile of 4-Chlorobutyl 2-nitrobenzenesulfonate
Property Insights of 4-Chlorobutyl 2-nitrobenzenesulfonate
The XLogP value of 2.3191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobutyl 2-nitrobenzenesulfonate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobutyl 2-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 4-Chlorobutyl 2-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 5 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-Chlorobutyl 2-nitrobenzenesulfonate?
The CAS number of 4-Chlorobutyl 2-nitrobenzenesulfonate is 441002-17-1.
What is the molecular formula of 4-Chlorobutyl 2-nitrobenzenesulfonate?
The molecular formula of 4-Chlorobutyl 2-nitrobenzenesulfonate is C10H12ClNO5S.
What is the molecular weight of 4-Chlorobutyl 2-nitrobenzenesulfonate?
The molecular weight of 4-Chlorobutyl 2-nitrobenzenesulfonate is 293.01 g/mol.
Where can I buy 4-Chlorobutyl 2-nitrobenzenesulfonate?
You can request a quote for 4-Chlorobutyl 2-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobutyl 2-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobutyl 2-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.