4-氯-1,3-苯二胺硫酸盐
TL;DR: 4-氯-1,3-苯二胺硫酸盐 (CAS 68239-80-5) is a chemical compound with molecular formula C6H9ClN2O4S and molecular weight 240.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-1,3-苯二胺硫酸盐
4-chlorobenzene-1,3-diamine;sulfuric acid
Also Known As: 4-Chlorobenzene-1,3-diamine sulphate, m-Phenylenediamine,4-chloro-, sulfate, 1,3-Benzenediamine, 4-chloro-, sulfate (1:1), 4-CHLORO-1,3-BENZENEDIAMINE SULFATE, mPhenylenediamine, 4chloro, sulfate
| Molecular Formula | C6H9ClN2O4S |
|---|---|
| Molecular Weight | 240.00 g/mol |
| LogP | 0.85 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.99716 |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 68239-80-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)N)Cl.OS(=O)(=O)O |
| InChIKey | MQCUGDYVDRIJAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-1,3-苯二胺硫酸盐 (CAS 68239-80-5), with molecular formula C6H9ClN2O4S and molecular weight 240.00 g/mol. IUPAC: 4-chlorobenzene-1,3-diamine;sulfuric acid.
Chemical Property Profile of 4-氯-1,3-苯二胺硫酸盐
Property Insights of 4-氯-1,3-苯二胺硫酸盐
The XLogP value of 0.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-1,3-苯二胺硫酸盐. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氯-1,3-苯二胺硫酸盐. Following Lipinski's Rule of Five, 4-氯-1,3-苯二胺硫酸盐 has 4 hydrogen bond donor(s) and 6 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-氯-1,3-苯二胺硫酸盐?
The CAS number of 4-氯-1,3-苯二胺硫酸盐 is 68239-80-5.
What is the molecular formula of 4-氯-1,3-苯二胺硫酸盐?
The molecular formula of 4-氯-1,3-苯二胺硫酸盐 is C6H9ClN2O4S.
What is the molecular weight of 4-氯-1,3-苯二胺硫酸盐?
The molecular weight of 4-氯-1,3-苯二胺硫酸盐 is 240.00 g/mol.
Where can I buy 4-氯-1,3-苯二胺硫酸盐?
You can request a quote for 4-氯-1,3-苯二胺硫酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-1,3-苯二胺硫酸盐?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-1,3-苯二胺硫酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.