1,3-Benzenediamine, sulfate (1:1)
TL;DR: 1,3-Benzenediamine, sulfate (1:1) (CAS 541-70-8) is a chemical compound with molecular formula C6H10N2O4S and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-diamine;sulfuric acid
Also Known As: m-Phenylenediamine sulfate, 1,3-Phenylenediamine sulfate, Benzene-1,3-diamine sulfate, 1,3-Diaminobenzene Sulfate, COLOREX MPDS
| Molecular Formula | C6H10N2O4S |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.03613 |
| Heavy Atoms | 13 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 541-70-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)N.OS(=O)(=O)O |
| InChIKey | LDXYDHGRKFMULJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediamine, sulfate (1:1) (CAS 541-70-8), with molecular formula C6H10N2O4S and molecular weight 206.04 g/mol. IUPAC: benzene-1,3-diamine;sulfuric acid.
Chemical Property Profile of 1,3-Benzenediamine, sulfate (1:1)
Property Insights of 1,3-Benzenediamine, sulfate (1:1)
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediamine, sulfate (1:1). The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediamine, sulfate (1:1). Following Lipinski's Rule of Five, 1,3-Benzenediamine, sulfate (1:1) 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 1,3-Benzenediamine, sulfate (1:1)?
The CAS number of 1,3-Benzenediamine, sulfate (1:1) is 541-70-8.
What is the molecular formula of 1,3-Benzenediamine, sulfate (1:1)?
The molecular formula of 1,3-Benzenediamine, sulfate (1:1) is C6H10N2O4S.
What is the molecular weight of 1,3-Benzenediamine, sulfate (1:1)?
The molecular weight of 1,3-Benzenediamine, sulfate (1:1) is 206.04 g/mol.
Where can I buy 1,3-Benzenediamine, sulfate (1:1)?
You can request a quote for 1,3-Benzenediamine, sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediamine, sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediamine, sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.