![methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate structure](/static/products/634/634166-93-1.png)
methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate
TL;DR: methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate (CAS 634166-93-1) is a chemical compound with molecular formula C17H14FN5O3S and molecular weight 387.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
Also Known As: methyl 2-(2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoate, methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate, methyl 2-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate, METHYL 2-(2-{[1-(4-FLUOROPHENYL)-1H-1,2,3,4-TETRAZOL-5-YL]SULFANYL}ACETAMIDO)BENZOATE
| Molecular Formula | C17H14FN5O3S |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 2.3188 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.08014 |
| Heavy Atoms | 27 |
| Complexity | 961.2125 |
Chemical Identifiers
| CAS Number | 634166-93-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)F |
Product Overview
methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate (CAS 634166-93-1), with molecular formula C17H14FN5O3S and molecular weight 387.08 g/mol. IUPAC: methyl 2-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate
Property Insights of methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate
The XLogP value of 2.3188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate has 1 hydrogen bond donor(s) and 7 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 methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate?
The CAS number of methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate is 634166-93-1.
What is the molecular formula of methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate?
The molecular formula of methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate is C17H14FN5O3S.
What is the molecular weight of methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate?
The molecular weight of methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate is 387.08 g/mol.
Where can I buy methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate?
You can request a quote for methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.