3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate
TL;DR: 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate (CAS 696617-55-7) is a chemical compound with molecular formula C23H19FN4O3 and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxyphenyl)methyl 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate
Also Known As: A3602/0152608, 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate, 3-methoxybenzyl 4-[2-(2-fluorobenzyl)-2H-tetrazol-5-yl]benzoate, (3-methoxyphenyl)methyl 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate, (3-METHOXYPHENYL)METHYL 4-{2-[(2-FLUOROPHENYL)METHYL]-2H-1,2,3,4-TETRAZOL-5-YL}BENZOATE
| Molecular Formula | C23H19FN4O3 |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 3.8931 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.1441 |
| Heavy Atoms | 31 |
| Complexity | 1191.4181 |
Chemical Identifiers
| CAS Number | 696617-55-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)COC(=O)C2=CC=C(C=C2)C3=NN(N=N3)CC4=CC=CC=C4F |
Product Overview
3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate (CAS 696617-55-7), with molecular formula C23H19FN4O3 and molecular weight 418.14 g/mol. IUPAC: (3-methoxyphenyl)methyl 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate.
Chemical Property Profile of 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate
Property Insights of 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate
The XLogP value of 3.8931 indicates that 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate. Following Lipinski's Rule of Five, 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate has 0 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 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate?
The CAS number of 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate is 696617-55-7.
What is the molecular formula of 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate?
The molecular formula of 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate is C23H19FN4O3.
What is the molecular weight of 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate?
The molecular weight of 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate is 418.14 g/mol.
Where can I buy 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate?
You can request a quote for 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxybenzyl 4-(2-(2-fluorobenzyl)-2H-tetrazol-5-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.