![methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate structure](/static/products/3268/326866-64-2.webp)
methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate
TL;DR: methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate (CAS 326866-64-2) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoate
Also Known As: methyl 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoate, methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate, methyl 4-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)benzoate
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 2.7412 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 787.3546 |
Chemical Identifiers
| CAS Number | 326866-64-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NN=NN2C3=CC=CC=C3 |
Product Overview
methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate (CAS 326866-64-2), with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol. IUPAC: methyl 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoate.
Chemical Property Profile of methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate
Property Insights of methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate
The XLogP value of 2.7412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate. Following Lipinski's Rule of Five, methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}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 methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate?
The CAS number of methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate is 326866-64-2.
What is the molecular formula of methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate?
The molecular formula of methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate is C16H14N4O2S.
What is the molecular weight of methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate?
The molecular weight of methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate is 326.08 g/mol.
Where can I buy methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate?
You can request a quote for methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}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-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.