2-(1,3-Benzodioxol-5-ylamino)benzoic acid
TL;DR: 2-(1,3-Benzodioxol-5-ylamino)benzoic acid (CAS 5876-53-9) is a chemical compound with molecular formula C14H11NO4 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylamino)benzoic acid
Also Known As: 2-(1,3-benzodioxol-5-ylamino)benzoic acid, benzoic acid, 2-(1,3-benzodioxol-5-ylamino)-, N-(1,3-benzodioxo-5-ylamino)benzoic acid, 2-(1,3-Benzodioxole-5-ylamino)benzoic acid, 2-benzo[1,3]dioxol-5-ylamino-benzoic acid
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 5876-53-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3=CC=CC=C3C(=O)O |
| InChIKey | SZNBYURCUPNFSH-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzodioxol-5-ylamino)benzoic acid (CAS 5876-53-9), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylamino)benzoic acid.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylamino)benzoic acid
Property Insights of 2-(1,3-Benzodioxol-5-ylamino)benzoic acid
The XLogP value of 3.4 indicates that 2-(1,3-Benzodioxol-5-ylamino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-ylamino)benzoic acid. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylamino)benzoic acid has 2 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 2-(1,3-Benzodioxol-5-ylamino)benzoic acid?
The CAS number of 2-(1,3-Benzodioxol-5-ylamino)benzoic acid is 5876-53-9.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylamino)benzoic acid?
The molecular formula of 2-(1,3-Benzodioxol-5-ylamino)benzoic acid is C14H11NO4.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylamino)benzoic acid?
The molecular weight of 2-(1,3-Benzodioxol-5-ylamino)benzoic acid is 257.07 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylamino)benzoic acid?
You can request a quote for 2-(1,3-Benzodioxol-5-ylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-ylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.