![Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate structure](/static/products/1398/13980-79-5.webp)
Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate
TL;DR: Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate (CAS 13980-79-5) is a chemical compound with molecular formula C12H14N4O3S and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetate
Also Known As: BAS 02549928, ethyl 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetate, [1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetic acid ethyl ester, ethyl {[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetate, Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate
| Molecular Formula | C12H14N4O3S |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.07867 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 13980-79-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=NN1C2=CC=C(C=C2)OC |
| InChIKey | MEDQOTWKAWCPGU-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate (CAS 13980-79-5), with molecular formula C12H14N4O3S and molecular weight 294.08 g/mol. IUPAC: ethyl 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate
Property Insights of Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate. Following Lipinski's Rule of Five, Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate has 0 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 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate?
The CAS number of Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate is 13980-79-5.
What is the molecular formula of Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate?
The molecular formula of Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate is C12H14N4O3S.
What is the molecular weight of Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate?
The molecular weight of Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate is 294.08 g/mol.
Where can I buy Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate?
You can request a quote for Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate 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-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.