3,5-Diaminobenzoate
TL;DR: 3,5-Diaminobenzoate (CAS 899427-02-2) is a chemical compound with molecular formula C7H7N2O2- and molecular weight 151.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diaminobenzoate
Also Known As: 3,5-diaminobenzoate, Benzoic acid, 3,5-diamino-, ion(1-)
| Molecular Formula | C7H7N2O2- |
|---|---|
| Molecular Weight | 151.05 g/mol |
| LogP | -0.7855 |
| Topological Polar Surface Area | 92.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.05075 |
| Heavy Atoms | 11 |
| Complexity | 276.2421 |
Chemical Identifiers
| CAS Number | 899427-02-2 |
|---|---|
| SMILES | C1=C(C=C(C=C1N)N)C(=O)[O-] |
Product Overview
3,5-Diaminobenzoate (CAS 899427-02-2), with molecular formula C7H7N2O2- and molecular weight 151.05 g/mol. IUPAC: 3,5-diaminobenzoate.
Chemical Property Profile of 3,5-Diaminobenzoate
Property Insights of 3,5-Diaminobenzoate
The XLogP value of -0.7855 indicates that 3,5-Diaminobenzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diaminobenzoate. Following Lipinski's Rule of Five, 3,5-Diaminobenzoate has 2 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 3,5-Diaminobenzoate?
The CAS number of 3,5-Diaminobenzoate is 899427-02-2.
What is the molecular formula of 3,5-Diaminobenzoate?
The molecular formula of 3,5-Diaminobenzoate is C7H7N2O2-.
What is the molecular weight of 3,5-Diaminobenzoate?
The molecular weight of 3,5-Diaminobenzoate is 151.05 g/mol.
Where can I buy 3,5-Diaminobenzoate?
You can request a quote for 3,5-Diaminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diaminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diaminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.