![Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate structure](/static/products/7276/727673-83-8.webp)
Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate
TL;DR: Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate (CAS 727673-83-8) is a chemical compound with molecular formula C20H23NO3S and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanylbenzoate
Also Known As: AO-080/43378159, methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate, A3765/0159674, methyl 2-((1-(mesitylamino)-1-oxopropan-2-yl)thio)benzoate, methyl 2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanylbenzoate
| Molecular Formula | C20H23NO3S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 4.51776 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.13986 |
| Heavy Atoms | 25 |
| Complexity | 778.27344 |
Chemical Identifiers
| CAS Number | 727673-83-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=CC=CC=C2C(=O)OC)C |
Product Overview
Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate (CAS 727673-83-8), with molecular formula C20H23NO3S and molecular weight 357.14 g/mol. IUPAC: methyl 2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanylbenzoate.
Chemical Property Profile of Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate
Property Insights of Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate
The XLogP value of 4.51776 indicates that Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate has 1 hydrogen bond donor(s) and 4 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-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate?
The CAS number of Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate is 727673-83-8.
What is the molecular formula of Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate?
The molecular formula of Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate is C20H23NO3S.
What is the molecular weight of Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate?
The molecular weight of Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate is 357.14 g/mol.
Where can I buy Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate?
You can request a quote for Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.