![Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate structure](/static/products/3290/329078-93-5.webp)
Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
TL;DR: Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate (CAS 329078-93-5) is a chemical compound with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
Also Known As: Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate, AA-768/31128011, ethyl 4-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}benzoate, Ethyl 4-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)benzoate, ethyl 4-({2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetyl}amino)benzenecarboxylate
| Molecular Formula | C18H17N5O3S |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 2.5698 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.10522 |
| Heavy Atoms | 27 |
| Complexity | 912.2612 |
Chemical Identifiers
| CAS Number | 329078-93-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3 |
Product Overview
Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate (CAS 329078-93-5), with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol. IUPAC: ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
Property Insights of Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
The XLogP value of 2.5698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate has 1 hydrogen bond donor(s) and 7 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-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate?
The CAS number of Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate is 329078-93-5.
What is the molecular formula of Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate?
The molecular formula of Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate is C18H17N5O3S.
What is the molecular weight of Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate?
The molecular weight of Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate is 383.11 g/mol.
Where can I buy Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate?
You can request a quote for Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]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-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.