4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate
TL;DR: 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate (CAS 696623-99-1) is a chemical compound with molecular formula C22H16Cl2N4O2 and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl 3-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]benzoate
Also Known As: A3444/0146201, 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate, 4-chlorobenzyl 3-[2-(4-chlorobenzyl)-2H-tetrazol-5-yl]benzoate, (4-chlorophenyl)methyl 3-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]benzoate, 4-CHLOROBENZYL 3-[2-(4-CHLOROBENZYL)-2H-1,2,3,4-TETRAAZOL-5-YL]BENZOATE
| Molecular Formula | C22H16Cl2N4O2 |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | 5.0522 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.06503 |
| Heavy Atoms | 30 |
| Complexity | 1158.4933 |
Chemical Identifiers
| CAS Number | 696623-99-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)Cl)C3=NN(N=N3)CC4=CC=C(C=C4)Cl |
Product Overview
4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate (CAS 696623-99-1), with molecular formula C22H16Cl2N4O2 and molecular weight 438.07 g/mol. IUPAC: (4-chlorophenyl)methyl 3-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]benzoate.
Chemical Property Profile of 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate
Property Insights of 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate
The XLogP value of 5.0522 indicates that 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate. Following Lipinski's Rule of Five, 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate?
The CAS number of 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate is 696623-99-1.
What is the molecular formula of 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate?
The molecular formula of 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate is C22H16Cl2N4O2.
What is the molecular weight of 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate?
The molecular weight of 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate is 438.07 g/mol.
Where can I buy 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate?
You can request a quote for 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-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 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorobenzyl 3-(2-(4-chlorobenzyl)-2H-tetrazol-5-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.