4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid
TL;DR: 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid (CAS 853750-96-6) is a chemical compound with molecular formula C16H12FN5O3S and molecular weight 373.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid
Also Known As: VU0508499-1, 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid, 4-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic Acid, F3077-0727, 4-(2-{[1-(4-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoic acid
| Molecular Formula | C16H12FN5O3S |
|---|---|
| Molecular Weight | 373.06 g/mol |
| LogP | 2.2304 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.06448 |
| Heavy Atoms | 26 |
| Complexity | 927.8181 |
Chemical Identifiers
| CAS Number | 853750-96-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)F |
Product Overview
4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid (CAS 853750-96-6), with molecular formula C16H12FN5O3S and molecular weight 373.06 g/mol. IUPAC: 4-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid.
Chemical Property Profile of 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid
Property Insights of 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid
The XLogP value of 2.2304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid. Following Lipinski's Rule of Five, 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid has 2 hydrogen bond donor(s) and 6 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 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid?
The CAS number of 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid is 853750-96-6.
What is the molecular formula of 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid?
The molecular formula of 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid is C16H12FN5O3S.
What is the molecular weight of 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid?
The molecular weight of 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid is 373.06 g/mol.
Where can I buy 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid?
You can request a quote for 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.