3,4-二氨基苯磺酸
TL;DR: 3,4-二氨基苯磺酸 (CAS 7474-78-4) is a chemical compound with molecular formula C6H8N2O3S and molecular weight 188.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二氨基苯磺酸
3,4-diaminobenzenesulfonic acid
Also Known As: 3,4-Diaminobenzenesulfonic acid, Benzenesulfonic acid, 3,4-diamino-, Di-n-butyl sebacate, 3,4-diaminobenzene-1-sulfonic acid, Sebacic acid dibutyl ester
| Molecular Formula | C6H8N2O3S |
|---|---|
| Molecular Weight | 188.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.02556 |
| Heavy Atoms | 12 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 7474-78-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)N)N |
| InChIKey | FKSRSWQTEJTBMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二氨基苯磺酸 (CAS 7474-78-4), with molecular formula C6H8N2O3S and molecular weight 188.03 g/mol. IUPAC: 3,4-diaminobenzenesulfonic acid.
Chemical Property Profile of 3,4-二氨基苯磺酸
Property Insights of 3,4-二氨基苯磺酸
The XLogP value of -0.6 indicates that 3,4-二氨基苯磺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-二氨基苯磺酸. Following Lipinski's Rule of Five, 3,4-二氨基苯磺酸 has 3 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 3,4-二氨基苯磺酸?
The CAS number of 3,4-二氨基苯磺酸 is 7474-78-4.
What is the molecular formula of 3,4-二氨基苯磺酸?
The molecular formula of 3,4-二氨基苯磺酸 is C6H8N2O3S.
What is the molecular weight of 3,4-二氨基苯磺酸?
The molecular weight of 3,4-二氨基苯磺酸 is 188.03 g/mol.
Where can I buy 3,4-二氨基苯磺酸?
You can request a quote for 3,4-二氨基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氨基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氨基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.