![Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate structure](/static/products/3464/346465-00-7.webp)
Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
TL;DR: Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate (CAS 346465-00-7) is a chemical compound with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
Also Known As: BAS 03818789, methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate, methyl 4-(5-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoate, methyl 4-(5-{[N-(2,6-dimethylphenyl)carbamoyl]methylthio}-1,2,3,4-tetraazolyl) benzoate, METHYL 4-[5-({[(2,6-DIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1H-1,2,3,4-TETRAZOL-1-YL]BENZOATE
| Molecular Formula | C19H19N5O3S |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 2.79654 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.12085 |
| Heavy Atoms | 28 |
| Complexity | 980.80865 |
Chemical Identifiers
| CAS Number | 346465-00-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)OC |
Product Overview
Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate (CAS 346465-00-7), with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol. IUPAC: methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate.
Chemical Property Profile of Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
Property Insights of Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
The XLogP value of 2.79654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate has 1 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 Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate?
The CAS number of Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate is 346465-00-7.
What is the molecular formula of Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate?
The molecular formula of Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate is C19H19N5O3S.
What is the molecular weight of Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate?
The molecular weight of Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate is 397.12 g/mol.
Where can I buy Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate?
You can request a quote for Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-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 Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.