alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester
TL;DR: alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester (CAS 24159-09-9) is a chemical compound with molecular formula C12H18ClNO3S and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanethiol;2-(4-chlorophenoxy)-2-methylpropanoic acid
Also Known As: alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester, Acetic acid, (p-chlorophenoxy)dimethyl-, compd. with 2-aminoethanethiol, ISOBUTYRIC ACID, alpha-(p-CHLOROPHENOXY)-, compd. with 2-AMINOETHANETHIOL (1:1), 2-aminoethanethiol,2-(4-chlorophenoxy)-2-methylpropanoic acid, 2-aminoethanethiol; 2-(4-chlorophenoxy)-2-methylpropanoic acid
| Molecular Formula | C12H18ClNO3S |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 2.4569 |
| Topological Polar Surface Area | 72.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.06958 |
| Heavy Atoms | 18 |
| Complexity | 366.0902 |
Chemical Identifiers
| CAS Number | 24159-09-9 |
|---|---|
| SMILES | CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl.C(CS)N |
Product Overview
alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester (CAS 24159-09-9), with molecular formula C12H18ClNO3S and molecular weight 291.07 g/mol. IUPAC: 2-aminoethanethiol;2-(4-chlorophenoxy)-2-methylpropanoic acid.
Chemical Property Profile of alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester
Property Insights of alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester
The XLogP value of 2.4569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester. The TPSA of 72.55 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester. Following Lipinski's Rule of Five, alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester 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 alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester?
The CAS number of alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester is 24159-09-9.
What is the molecular formula of alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester?
The molecular formula of alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester is C12H18ClNO3S.
What is the molecular weight of alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester?
The molecular weight of alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester is 291.07 g/mol.
Where can I buy alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester?
You can request a quote for alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester?
Yes, KEHONG BIO provides custom synthesis services for alpha-(p-Chlorophenoxy)isobutyric acid, (2-mercaptoethylamino) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.