Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate
TL;DR: Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate (CAS 156792-25-5) is a chemical compound with molecular formula C20H29NO4S2 and molecular weight 411.1538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S)-2-[[(2R)-2-(acetylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-4-methylsulfanylbutanoate
Also Known As: (R)-SCH 42495, Sch 42495, Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate, ethyl (2S)-2-[[(2R)-2-(acetylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-4-methylsulfanylbutanoate, T12641
Technical Specifications
| Molecular Formula | C20H29NO4S2 |
| Molecular Weight | 411.1538 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 411.1538 Da |
| Heavy Atoms | 27 |
| Complexity | 487.0 |
| SMILES | CCOC(=O)[C@H](CCSC)NC(=O)[C@@H](CC1=CC=CC=C1C)CSC(=O)C |
| InChIKey | ZVQXPUMRSJGLSF-ROUUACIJSA-N |
Chemical Property Profile of Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate
Property Insights of Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate
The XLogP value of 3.6 indicates that Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate. Following Lipinski's Rule of Five, Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-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
What is the CAS number of Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate?
The CAS number of Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate is 156792-25-5.
What is the molecular formula of Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate?
The molecular formula of Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate is C20H29NO4S2.
What is the molecular weight of Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate?
The molecular weight of Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate is 411.1538 g/mol.
Where can I buy Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate?
You can request a quote for Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate?
Yes, CoreyChem provides custom synthesis services for Ethyl ((R)-3-(acetylthio)-2-(2-methylbenzyl)propanoyl)-L-methioninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.