1,3-Benzenedisulfonic acid, 4,6-diamino-
TL;DR: 1,3-Benzenedisulfonic acid, 4,6-diamino- (CAS 137-50-8) is a chemical compound with molecular formula C6H8N2O6S2 and molecular weight 267.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-diaminobenzene-1,3-disulfonic acid
Also Known As: 4,6-diaminobenzene-1,3-disulfonic acid, 1,3-Benzenedisulfonic acid, 4,6-diamino-, 1,3-phenylenediamine-4,6-disulfonic acid, m-Phenylenediamine-4,6-disulfonic acid, 4,6-diamino-1,3-benzenedisulfonic acid
| Molecular Formula | C6H8N2O6S2 |
|---|---|
| Molecular Weight | 267.98 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.9824 |
| Heavy Atoms | 16 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 137-50-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1N)S(=O)(=O)O)S(=O)(=O)O)N |
| InChIKey | YADSWTKOIHUSDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedisulfonic acid, 4,6-diamino- (CAS 137-50-8), with molecular formula C6H8N2O6S2 and molecular weight 267.98 g/mol. IUPAC: 4,6-diaminobenzene-1,3-disulfonic acid.
Chemical Property Profile of 1,3-Benzenedisulfonic acid, 4,6-diamino-
Property Insights of 1,3-Benzenedisulfonic acid, 4,6-diamino-
The XLogP value of -0.8 indicates that 1,3-Benzenedisulfonic acid, 4,6-diamino- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.0 Ų indicates high polarity, suggesting 1,3-Benzenedisulfonic acid, 4,6-diamino- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzenedisulfonic acid, 4,6-diamino- has 4 hydrogen bond donor(s) and 8 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 1,3-Benzenedisulfonic acid, 4,6-diamino-?
The CAS number of 1,3-Benzenedisulfonic acid, 4,6-diamino- is 137-50-8.
What is the molecular formula of 1,3-Benzenedisulfonic acid, 4,6-diamino-?
The molecular formula of 1,3-Benzenedisulfonic acid, 4,6-diamino- is C6H8N2O6S2.
What is the molecular weight of 1,3-Benzenedisulfonic acid, 4,6-diamino-?
The molecular weight of 1,3-Benzenedisulfonic acid, 4,6-diamino- is 267.98 g/mol.
Where can I buy 1,3-Benzenedisulfonic acid, 4,6-diamino-?
You can request a quote for 1,3-Benzenedisulfonic acid, 4,6-diamino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedisulfonic acid, 4,6-diamino-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedisulfonic acid, 4,6-diamino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.