3-(9-Acridinylamino)benzoic acid
TL;DR: 3-(9-Acridinylamino)benzoic acid (CAS 64894-98-0) is a chemical compound with molecular formula C20H14N2O2 and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(acridin-9-ylamino)benzoic acid
Also Known As: 3-(9-Acridinylamino)benzoic acid, 3-(acridin-9-ylamino)benzoic acid, 3-(Acridin-9-ylamino)-benzoic acid, Benzoic acid, 3-(9-acridinylamino)-, Benzoic acid,3-(9-acridinylamino)-
| Molecular Formula | C20H14N2O2 |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.10553 |
| Heavy Atoms | 24 |
| Complexity | 433.0 |
| Solubility | 2.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 64894-98-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=CC(=C4)C(=O)O |
| InChIKey | RJVCIMWGQYPKEF-UHFFFAOYSA-N |
Product Overview
3-(9-Acridinylamino)benzoic acid (CAS 64894-98-0), with molecular formula C20H14N2O2 and molecular weight 314.11 g/mol. IUPAC: 3-(acridin-9-ylamino)benzoic acid.
Chemical Property Profile of 3-(9-Acridinylamino)benzoic acid
Property Insights of 3-(9-Acridinylamino)benzoic acid
The XLogP value of 4.6 indicates that 3-(9-Acridinylamino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(9-Acridinylamino)benzoic acid. Following Lipinski's Rule of Five, 3-(9-Acridinylamino)benzoic acid 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-(9-Acridinylamino)benzoic acid?
The CAS number of 3-(9-Acridinylamino)benzoic acid is 64894-98-0.
What is the molecular formula of 3-(9-Acridinylamino)benzoic acid?
The molecular formula of 3-(9-Acridinylamino)benzoic acid is C20H14N2O2.
What is the molecular weight of 3-(9-Acridinylamino)benzoic acid?
The molecular weight of 3-(9-Acridinylamino)benzoic acid is 314.11 g/mol.
Where can I buy 3-(9-Acridinylamino)benzoic acid?
You can request a quote for 3-(9-Acridinylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(9-Acridinylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(9-Acridinylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.