苯磺酸4-氯-3-硝基
TL;DR: 苯磺酸4-氯-3-硝基 (CAS 121-18-6) is a chemical compound with molecular formula C6H4ClNO5S and molecular weight 236.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯磺酸4-氯-3-硝基
4-chloro-3-nitrobenzenesulfonic acid
Also Known As: 4-Chloro-3-nitrobenzenesulfonic acid, Benzenesulfonic acid, 4-chloro-3-nitro-, Benzenesulfonic acid,4-chloro-3-nitro-, o-Nitrochlorobenzene-p-sulfonic acid, Venetoclax Impurity 87
| Molecular Formula | C6H4ClNO5S |
|---|---|
| Molecular Weight | 236.95 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.94987 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 121-18-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)[N+](=O)[O-])Cl |
| InChIKey | RPKWNMFDAOACCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯磺酸4-氯-3-硝基 (CAS 121-18-6), with molecular formula C6H4ClNO5S and molecular weight 236.95 g/mol. IUPAC: 4-chloro-3-nitrobenzenesulfonic acid.
Chemical Property Profile of 苯磺酸4-氯-3-硝基
Property Insights of 苯磺酸4-氯-3-硝基
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯磺酸4-氯-3-硝基. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯磺酸4-氯-3-硝基. Following Lipinski's Rule of Five, 苯磺酸4-氯-3-硝基 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 苯磺酸4-氯-3-硝基?
The CAS number of 苯磺酸4-氯-3-硝基 is 121-18-6.
What is the molecular formula of 苯磺酸4-氯-3-硝基?
The molecular formula of 苯磺酸4-氯-3-硝基 is C6H4ClNO5S.
What is the molecular weight of 苯磺酸4-氯-3-硝基?
The molecular weight of 苯磺酸4-氯-3-硝基 is 236.95 g/mol.
Where can I buy 苯磺酸4-氯-3-硝基?
You can request a quote for 苯磺酸4-氯-3-硝基 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯磺酸4-氯-3-硝基?
Yes, KEHONG BIO provides custom synthesis services for 苯磺酸4-氯-3-硝基 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.