![ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate structure](/static/products/3173/317326-34-4.webp)
ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate
TL;DR: ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate (CAS 317326-34-4) is a chemical compound with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-phenyltetrazol-5-yl)sulfanylpropanoate
Also Known As: BIM-0012345.P001, ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate, ethyl 2-(1-phenyltetrazol-5-yl)sulfanylpropanoate, ethyl 2-[(1-phenyl-1H-tetrazol-5-yl)thio]propanoate, A2126/0089251
| Molecular Formula | C12H14N4O2S |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 1.706 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.08374 |
| Heavy Atoms | 19 |
| Complexity | 543.67224 |
Chemical Identifiers
| CAS Number | 317326-34-4 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=NN1C2=CC=CC=C2 |
Product Overview
ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate (CAS 317326-34-4), with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol. IUPAC: ethyl 2-(1-phenyltetrazol-5-yl)sulfanylpropanoate.
Chemical Property Profile of ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate
Property Insights of ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate
The XLogP value of 1.706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate. Following Lipinski's Rule of Five, ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate 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 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate?
The CAS number of ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate is 317326-34-4.
What is the molecular formula of ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate?
The molecular formula of ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate is C12H14N4O2S.
What is the molecular weight of ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate?
The molecular weight of ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate is 278.08 g/mol.
Where can I buy ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate?
You can request a quote for ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.