N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide
TL;DR: N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide (CAS 73147-12-3) is a chemical compound with molecular formula C15H21ClN2O3S and molecular weight 344.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-2-methyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]propanamide
Also Known As: N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide, Propanamide, 2-(4-chlorophenoxy)-N-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-2-methyl-, 2-(4-Chlorophenoxy)-N-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-2-methylpropanamide, 2-(4-chlorophenoxy)-2-methyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]propanamide, N~3~-[2-(4-Chlorophenoxy)-2-methylpropanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
| Molecular Formula | C15H21ClN2O3S |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 2.0497 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 344.09613 |
| Heavy Atoms | 22 |
| Complexity | 506.01395 |
Chemical Identifiers
| CAS Number | 73147-12-3 |
|---|---|
| SMILES | CC(C)(C(=O)NCCC(=O)NCCS)OC1=CC=C(C=C1)Cl |
Product Overview
N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide (CAS 73147-12-3), with molecular formula C15H21ClN2O3S and molecular weight 344.10 g/mol. IUPAC: 2-(4-chlorophenoxy)-2-methyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]propanamide.
Chemical Property Profile of N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide
Property Insights of N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide
The XLogP value of 2.0497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide. Following Lipinski's Rule of Five, N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide has 3 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 N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide?
The CAS number of N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide is 73147-12-3.
What is the molecular formula of N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide?
The molecular formula of N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide is C15H21ClN2O3S.
What is the molecular weight of N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide?
The molecular weight of N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide is 344.10 g/mol.
Where can I buy N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide?
You can request a quote for N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(2-Mercaptoethylcarbamoyl)ethyl)-2-(p-chlorophenoxy)isobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.