methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate
TL;DR: methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate (CAS 728038-32-2) is a chemical compound with molecular formula C10H10N4O3 and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate
Also Known As: methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate, Methyl 4-((2H-tetrazol-5-yl)methoxy)benzoate, methyl 4-(1H-tetrazol-5-ylmethoxy)benzoate, J3.118.036H, Methyl 4-(2H-Tetrazol-5-ylmethoxy)-benzoate
| Molecular Formula | C10H10N4O3 |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 0.5653 |
| Topological Polar Surface Area | 89.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.07529 |
| Heavy Atoms | 17 |
| Complexity | 480.76193 |
Chemical Identifiers
| CAS Number | 728038-32-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCC2=NNN=N2 |
Product Overview
methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate (CAS 728038-32-2), with molecular formula C10H10N4O3 and molecular weight 234.08 g/mol. IUPAC: methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate.
Chemical Property Profile of methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate
Property Insights of methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate
The XLogP value of 0.5653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate. The TPSA of 89.99 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate. Following Lipinski's Rule of Five, methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate has 1 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 methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate?
The CAS number of methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate is 728038-32-2.
What is the molecular formula of methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate?
The molecular formula of methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate is C10H10N4O3.
What is the molecular weight of methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate?
The molecular weight of methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate is 234.08 g/mol.
Where can I buy methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate?
You can request a quote for methyl 4-(2H-tetrazol-5-ylmethoxy)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-(2H-tetrazol-5-ylmethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2H-tetrazol-5-ylmethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.