![ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate structure](/static/products/801/801244-39-3.png)
ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate
TL;DR: ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate (CAS 801244-39-3) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoate
Also Known As: ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate, ethyl 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoate, ethyl 4-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)benzoate
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 3.1313 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 802.9726 |
Chemical Identifiers
| CAS Number | 801244-39-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CSC2=NN=NN2C3=CC=CC=C3 |
Product Overview
ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate (CAS 801244-39-3), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: ethyl 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoate.
Chemical Property Profile of ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate
Property Insights of ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate
The XLogP value of 3.1313 indicates that ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}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 ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate. Following Lipinski's Rule of Five, ethyl 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 ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate?
The CAS number of ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate is 801244-39-3.
What is the molecular formula of ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate?
The molecular formula of ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate is C17H16N4O2S.
What is the molecular weight of ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate?
The molecular weight of ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate is 340.10 g/mol.
Where can I buy ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate?
You can request a quote for ethyl 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 ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.