methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate
TL;DR: methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate (CAS 634165-86-9) is a chemical compound with molecular formula C19H17FN4O3S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyltetrazol-1-yl]benzoate
Also Known As: ChemDiv3_006626, IDI1_024536, BRD-K57932709-001-01-3, A3244/0137801, methyl 4-[5-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyltetrazol-1-yl]benzoate
| Molecular Formula | C19H17FN4O3S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 3.3432 |
| Topological Polar Surface Area | 86.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.10052 |
| Heavy Atoms | 28 |
| Complexity | 958.0699 |
Chemical Identifiers
| CAS Number | 634165-86-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCCCC(=O)C3=CC=C(C=C3)F |
Product Overview
methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate (CAS 634165-86-9), with molecular formula C19H17FN4O3S and molecular weight 400.10 g/mol. IUPAC: methyl 4-[5-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyltetrazol-1-yl]benzoate.
Chemical Property Profile of methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate
Property Insights of methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate
The XLogP value of 3.3432 indicates that methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.97 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate has 0 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 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate?
The CAS number of methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate is 634165-86-9.
What is the molecular formula of methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate?
The molecular formula of methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate is C19H17FN4O3S.
What is the molecular weight of methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate?
The molecular weight of methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate is 400.10 g/mol.
Where can I buy methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate?
You can request a quote for methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(5-((4-(4-fluorophenyl)-4-oxobutyl)thio)-1H-tetrazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.