2-氯-5-硝基甲苯-4-磺酸
TL;DR: 2-氯-5-硝基甲苯-4-磺酸 (CAS 6973-13-3) is a chemical compound with molecular formula C7H6ClNO5S and molecular weight 250.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-5-硝基甲苯-4-磺酸
5-chloro-4-methyl-2-nitrobenzenesulfonic acid
Also Known As: 5-chloro-4-methyl-2-nitrobenzenesulfonic acid, 2-Chloro-5-nitrotoluene-4-sulfonic acid, 2-Chloro-5-nitrotoluene-4-sulphonic acid, Benzenesulfonic acid, 5-chloro-4-methyl-2-nitro-, 2-Chloro-5-nitro-1-toluene-4-sulfonic acid
| Molecular Formula | C7H6ClNO5S |
|---|---|
| Molecular Weight | 250.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.96552 |
| Heavy Atoms | 15 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 6973-13-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | JTZLIGVBEAGAFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-5-硝基甲苯-4-磺酸 (CAS 6973-13-3), with molecular formula C7H6ClNO5S and molecular weight 250.97 g/mol. IUPAC: 5-chloro-4-methyl-2-nitrobenzenesulfonic acid.
Chemical Property Profile of 2-氯-5-硝基甲苯-4-磺酸
Property Insights of 2-氯-5-硝基甲苯-4-磺酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-5-硝基甲苯-4-磺酸. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯-5-硝基甲苯-4-磺酸. Following Lipinski's Rule of Five, 2-氯-5-硝基甲苯-4-磺酸 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 2-氯-5-硝基甲苯-4-磺酸?
The CAS number of 2-氯-5-硝基甲苯-4-磺酸 is 6973-13-3.
What is the molecular formula of 2-氯-5-硝基甲苯-4-磺酸?
The molecular formula of 2-氯-5-硝基甲苯-4-磺酸 is C7H6ClNO5S.
What is the molecular weight of 2-氯-5-硝基甲苯-4-磺酸?
The molecular weight of 2-氯-5-硝基甲苯-4-磺酸 is 250.97 g/mol.
Where can I buy 2-氯-5-硝基甲苯-4-磺酸?
You can request a quote for 2-氯-5-硝基甲苯-4-磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-5-硝基甲苯-4-磺酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-5-硝基甲苯-4-磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.