![2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate structure](/static/products/634/634178-28-2.png)
2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate
TL;DR: 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate (CAS 634178-28-2) is a chemical compound with molecular formula C12H12N4O4S and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-2-oxoethyl) 4-(5-methylsulfanyltetrazol-1-yl)benzoate
Also Known As: (2-methoxy-2-oxoethyl) 4-(5-methylsulfanyltetrazol-1-yl)benzoate, 2-methoxy-2-oxoethyl 4-(5-(methylthio)-1H-tetrazol-1-yl)benzoate, 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate
| Molecular Formula | C12H12N4O4S |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.05792 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 634178-28-2 |
|---|---|
| SMILES | COC(=O)COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SC |
| InChIKey | PZSFVUHKNFAVQY-UHFFFAOYSA-N |
Product Overview
2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate (CAS 634178-28-2), with molecular formula C12H12N4O4S and molecular weight 308.06 g/mol. IUPAC: (2-methoxy-2-oxoethyl) 4-(5-methylsulfanyltetrazol-1-yl)benzoate.
Chemical Property Profile of 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate
Property Insights of 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate. Following Lipinski's Rule of Five, 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate has 0 hydrogen bond donor(s) and 8 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 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate?
The CAS number of 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate is 634178-28-2.
What is the molecular formula of 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate?
The molecular formula of 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate is C12H12N4O4S.
What is the molecular weight of 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate?
The molecular weight of 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate is 308.06 g/mol.
Where can I buy 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate?
You can request a quote for 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.