dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate
TL;DR: dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate (CAS 838403-62-6) is a chemical compound with molecular formula C20H19N5O5S and molecular weight 441.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate, dimethyl 2-[({[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-[[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzene-1,4-dicarboxylate, methyl 4-(methoxycarbonyl)-3-{2-[1-(4-methylphenyl)(1,2,3,4-tetraazol-5-ylthio )]acetylamino}benzoate
| Molecular Formula | C20H19N5O5S |
|---|---|
| Molecular Weight | 441.11 g/mol |
| LogP | 2.27472 |
| Topological Polar Surface Area | 125.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.1107 |
| Heavy Atoms | 31 |
| Complexity | 1113.4033 |
Chemical Identifiers
| CAS Number | 838403-62-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate (CAS 838403-62-6), with molecular formula C20H19N5O5S and molecular weight 441.11 g/mol. IUPAC: dimethyl 2-[[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate
Property Insights of dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate
The XLogP value of 2.27472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate. The TPSA of 125.3 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate. Following Lipinski's Rule of Five, dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate has 1 hydrogen bond donor(s) and 9 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 dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate?
The CAS number of dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate is 838403-62-6.
What is the molecular formula of dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate?
The molecular formula of dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate is C20H19N5O5S.
What is the molecular weight of dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate?
The molecular weight of dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate is 441.11 g/mol.
Where can I buy dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate?
You can request a quote for dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.