anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt
TL;DR: anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt (CAS 52972-55-1) is a chemical compound with molecular formula C12H9N5O2 and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7H-purin-6-ylamino)benzoic acid
Also Known As: N-6-Purinylanthranilate of ethanolamine, 2-(7H-purin-6-ylamino)benzoic acid, Anthranilic acid, N-(9H-purin-6-yl)-, 2-aminoethanol salt, 2-[(7H-Purin-6-yl)amino]benzoic acid, N-(9H-Purin-6-yl)anthranilic acid 2-aminoethanol salt
| Molecular Formula | C12H9N5O2 |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 1.7947 |
| Topological Polar Surface Area | 103.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.07562 |
| Heavy Atoms | 19 |
| Complexity | 752.46936 |
Chemical Identifiers
| CAS Number | 52972-55-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2NC=N3 |
Product Overview
anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt (CAS 52972-55-1), with molecular formula C12H9N5O2 and molecular weight 255.08 g/mol. IUPAC: 2-(7H-purin-6-ylamino)benzoic acid.
Chemical Property Profile of anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt
Property Insights of anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt
The XLogP value of 1.7947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt. The TPSA of 103.79 Ų falls within the moderate polarity range, balancing permeability and solubility for anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt. Following Lipinski's Rule of Five, anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt has 3 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 anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt?
The CAS number of anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt is 52972-55-1.
What is the molecular formula of anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt?
The molecular formula of anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt is C12H9N5O2.
What is the molecular weight of anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt?
The molecular weight of anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt is 255.08 g/mol.
Where can I buy anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt?
You can request a quote for anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt?
Yes, KEHONG BIO provides custom synthesis services for anthranilic acid, n-(9h-purin-6-yl)-, 2-aminoethanol salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.