4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate
TL;DR: 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate (CAS 356079-94-2) is a chemical compound with molecular formula C13H10ClNO5S and molecular weight 327.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-methylphenyl) 2-nitrobenzenesulfonate
Also Known As: 4-chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate, 4-chloro-3-methylphenyl 2-nitrobenzenesulfonate, (4-chloro-3-methylphenyl) 2-nitrobenzenesulfonate
| Molecular Formula | C13H10ClNO5S |
|---|---|
| Molecular Weight | 327.00 g/mol |
| LogP | 3.32432 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.99683 |
| Heavy Atoms | 21 |
| Complexity | 803.959 |
Chemical Identifiers
| CAS Number | 356079-94-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])Cl |
Product Overview
4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate (CAS 356079-94-2), with molecular formula C13H10ClNO5S and molecular weight 327.00 g/mol. IUPAC: (4-chloro-3-methylphenyl) 2-nitrobenzenesulfonate.
Chemical Property Profile of 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate
Property Insights of 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate
The XLogP value of 3.32432 indicates that 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate. Following Lipinski's Rule of Five, 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate 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-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate?
The CAS number of 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate is 356079-94-2.
What is the molecular formula of 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate?
The molecular formula of 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate is C13H10ClNO5S.
What is the molecular weight of 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate?
The molecular weight of 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate is 327.00 g/mol.
Where can I buy 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate?
You can request a quote for 4-Chloro-3-methylphenyl 2-nitrobenzene-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-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-methylphenyl 2-nitrobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.