(3-Azaniumyl-5-carboxyphenyl)azanium;dichloride
TL;DR: (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride (CAS 618-56-4) is a chemical compound with molecular formula C7H10Cl2N2O2 and molecular weight 224.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-azaniumyl-5-carboxyphenyl)azanium dichloride
Also Known As: 3,5-Diaminobenzoic acid, 3,5-Diaminobenzoic acid dihydrochloride, AI3-51087, BENZOIC ACID, 3,5-DIAMINO-, DIHYDROCHLORIDE, Benzoic acid, 3,5-diamino-, hydrochloride (1:2)
| Molecular Formula | C7H10Cl2N2O2 |
|---|---|
| Molecular Weight | 224.01 g/mol |
| LogP | -6.86 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.01193 |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 618-56-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1[NH3+])[NH3+])C(=O)O.[Cl-].[Cl-] |
| InChIKey | IGPLRBRBTUNCRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Azaniumyl-5-carboxyphenyl)azanium;dichloride (CAS 618-56-4), with molecular formula C7H10Cl2N2O2 and molecular weight 224.01 g/mol. IUPAC: (3-azaniumyl-5-carboxyphenyl)azanium dichloride.
Chemical Property Profile of (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride
Property Insights of (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride
The XLogP value of -6.86 indicates that (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride. Following Lipinski's Rule of Five, (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride has 3 hydrogen bond donor(s) and 4 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-Azaniumyl-5-carboxyphenyl)azanium;dichloride?
The CAS number of (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride is 618-56-4.
What is the molecular formula of (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride?
The molecular formula of (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride is C7H10Cl2N2O2.
What is the molecular weight of (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride?
The molecular weight of (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride is 224.01 g/mol.
Where can I buy (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride?
You can request a quote for (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride?
Yes, KEHONG BIO provides custom synthesis services for (3-Azaniumyl-5-carboxyphenyl)azanium;dichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.