2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate
TL;DR: 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate (CAS 1170714-94-9) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxyphenyl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
Also Known As: 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate, 2-(4-methoxyphenyl)-2-oxoethyl 2-benzamido-4-(methylthio)butanoate, [2-(4-methoxyphenyl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate, 2-(4-METHOXYPHENYL)-2-OXOETHYL 4-(METHYLSULFANYL)-2-(PHENYLFORMAMIDO)BUTANOATE
| Molecular Formula | C21H23NO5S |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 2.9728 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 401.1297 |
| Heavy Atoms | 28 |
| Complexity | 792.20306 |
Chemical Identifiers
| CAS Number | 1170714-94-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2 |
Product Overview
2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate (CAS 1170714-94-9), with molecular formula C21H23NO5S and molecular weight 401.13 g/mol. IUPAC: [2-(4-methoxyphenyl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate.
Chemical Property Profile of 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate
Property Insights of 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate
The XLogP value of 2.9728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate. Following Lipinski's Rule of Five, 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate has 1 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 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate?
The CAS number of 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate is 1170714-94-9.
What is the molecular formula of 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate?
The molecular formula of 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate is C21H23NO5S.
What is the molecular weight of 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate?
The molecular weight of 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate is 401.13 g/mol.
Where can I buy 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate?
You can request a quote for 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxyphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.