3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride
TL;DR: 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride (CAS 78726-74-6) is a chemical compound with molecular formula C7H5Cl2NO4S and molecular weight 268.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-methyl-5-nitrobenzenesulfonyl chloride
Also Known As: AcidYellowA4R, 3-chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride, 3-chloro-4-methyl-5-nitrobenzenesulfonyl chloride, Benzenesulfonylchloride, 3-chloro-4-methyl-5-nitro-, 3-chloro-4-methyl-5-nitro-benzenesulfonyl Chloride
| Molecular Formula | C7H5Cl2NO4S |
|---|---|
| Molecular Weight | 268.93 g/mol |
| LogP | 2.48412 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.93164 |
| Heavy Atoms | 15 |
| Complexity | 526.03687 |
Chemical Identifiers
| CAS Number | 78726-74-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1Cl)S(=O)(=O)Cl)[N+](=O)[O-] |
Product Overview
3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride (CAS 78726-74-6), with molecular formula C7H5Cl2NO4S and molecular weight 268.93 g/mol. IUPAC: 3-chloro-4-methyl-5-nitrobenzenesulfonyl chloride.
Chemical Property Profile of 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride
Property Insights of 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride
The XLogP value of 2.48412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride. Following Lipinski's Rule of Five, 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl 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 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride?
The CAS number of 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride is 78726-74-6.
What is the molecular formula of 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride?
The molecular formula of 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride is C7H5Cl2NO4S.
What is the molecular weight of 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride?
The molecular weight of 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride is 268.93 g/mol.
Where can I buy 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride?
You can request a quote for 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.