Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate
TL;DR: Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate (CAS 6308-49-2) is a chemical compound with molecular formula C21H25NO3S and molecular weight 371.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-3-benzylsulfanyl-3-methylbutanoate
Also Known As: ethyl n-benzoyl-3-(benzylsulfanyl)valinate, ethyl 2-benzamido-3-benzylsulfanyl-3-methylbutanoate, ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate
| Molecular Formula | C21H25NO3S |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 371.15552 |
| Heavy Atoms | 26 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 6308-49-2 |
|---|---|
| SMILES | CCOC(=O)C(C(C)(C)SCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 |
| InChIKey | VCIDXQUUATUUMK-UHFFFAOYSA-N |
Product Overview
Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate (CAS 6308-49-2), with molecular formula C21H25NO3S and molecular weight 371.16 g/mol. IUPAC: ethyl 2-benzamido-3-benzylsulfanyl-3-methylbutanoate.
Chemical Property Profile of Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate
Property Insights of Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate
The XLogP value of 4.3 indicates that Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate. Following Lipinski's Rule of Five, Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate 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 Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate?
The CAS number of Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate is 6308-49-2.
What is the molecular formula of Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate?
The molecular formula of Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate is C21H25NO3S.
What is the molecular weight of Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate?
The molecular weight of Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate is 371.16 g/mol.
Where can I buy Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate?
You can request a quote for Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzamido-3-benzylsulfanyl-3-methyl-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.