5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid
TL;DR: 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid (CAS 649766-37-0) is a chemical compound with molecular formula C9H6FN5O3 and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid
Also Known As: Benzoicacid,5-fluoro-2-[ amino]-, 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic Acid, 5-Fluoro-2-[(2H-tetrazol-5-ylcarbonyl)amino]benzoic acid, BENZOIC ACID, 5-FLUORO-2-[(1H-TETRAZOL-5-YLCARBONYL)AMINO]-, Benzoic acid, 5-fluoro-2-[(1H-tetrazol-5-ylcarbonyl)amino]- (9CI)
| Molecular Formula | C9H6FN5O3 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 0.2893 |
| Topological Polar Surface Area | 120.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.04547 |
| Heavy Atoms | 18 |
| Complexity | 598.2555 |
Chemical Identifiers
| CAS Number | 649766-37-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)C(=O)O)NC(=O)C2=NNN=N2 |
Product Overview
5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid (CAS 649766-37-0), with molecular formula C9H6FN5O3 and molecular weight 251.05 g/mol. IUPAC: 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid.
Chemical Property Profile of 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid
Property Insights of 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid
The XLogP value of 0.2893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid. The TPSA of 120.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid. Following Lipinski's Rule of Five, 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid 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 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid?
The CAS number of 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid is 649766-37-0.
What is the molecular formula of 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid?
The molecular formula of 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid is C9H6FN5O3.
What is the molecular weight of 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid?
The molecular weight of 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid is 251.05 g/mol.
Where can I buy 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid?
You can request a quote for 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-fluoro-2-(2H-tetrazole-5-carbonylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.