Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-
TL;DR: Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro- (CAS 67892-45-9) is a chemical compound with molecular formula C8H8ClNO5S and molecular weight 264.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-ethyl-5-nitrobenzenesulfonic acid
Also Known As: 3-Chloro-4-ethyl-5-nitrobenzenesulfonic acid, Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-, 3-Chloro-4-ethyl-5-nitrobenzenesulphonic acid, 3-Chloro-4-ethyl-5-nitrobenzene-1-sulfonic acid, EINECS 267-578-6
| Molecular Formula | C8H8ClNO5S |
|---|---|
| Molecular Weight | 264.98 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.98117 |
| Heavy Atoms | 16 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 67892-45-9 |
|---|---|
| SMILES | CCC1=C(C=C(C=C1Cl)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | IFEQFEKBQAAGLQ-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro- (CAS 67892-45-9), with molecular formula C8H8ClNO5S and molecular weight 264.98 g/mol. IUPAC: 3-chloro-4-ethyl-5-nitrobenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-
Property Insights of Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro- has 1 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 Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-?
The CAS number of Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro- is 67892-45-9.
What is the molecular formula of Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-?
The molecular formula of Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro- is C8H8ClNO5S.
What is the molecular weight of Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-?
The molecular weight of Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro- is 264.98 g/mol.
Where can I buy Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-?
You can request a quote for Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.