methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate
TL;DR: methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate (CAS 706766-32-7) is a chemical compound with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetate
Also Known As: methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate, methyl 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetate, methyl {[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetate, METHYL 2-{[1-(4-METHYLPHENYL)-1H-1,2,3,4-TETRAZOL-5-YL]SULFANYL}ACETATE
| Molecular Formula | C11H12N4O2S |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 1.23582 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.06808 |
| Heavy Atoms | 18 |
| Complexity | 538.23114 |
Chemical Identifiers
| CAS Number | 706766-32-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)OC |
Product Overview
methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate (CAS 706766-32-7), with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol. IUPAC: methyl 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetate.
Chemical Property Profile of methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate
Property Insights of methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate
The XLogP value of 1.23582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate. Following Lipinski's Rule of Five, methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate 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 methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate?
The CAS number of methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate is 706766-32-7.
What is the molecular formula of methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate?
The molecular formula of methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate is C11H12N4O2S.
What is the molecular weight of methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate?
The molecular weight of methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate is 264.07 g/mol.
Where can I buy methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate?
You can request a quote for methyl 2-((1-(p-tolyl)-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 methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.