Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate
TL;DR: Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate (CAS 40390-11-2) is a chemical compound with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-(4-chloro-2-methylphenoxy)propanoate
Also Known As: EINECS 254-901-0, Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate, ethyl (2S)-2-(4-chloro-2-methylphenoxy)propanoate, Ethyl (+-)-2-(4-chloro-2-methylphenoxy)propionate, (S)-2-(4-Chloro-2-methylphenoxy)propionic acid ethyl ester
| Molecular Formula | C12H15ClO3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 2.97882 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.07097 |
| Heavy Atoms | 16 |
| Complexity | 376.52667 |
Chemical Identifiers
| CAS Number | 40390-11-2 |
|---|---|
| SMILES | CCOC(=O)[C@H](C)OC1=C(C=C(C=C1)Cl)C |
Product Overview
Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate (CAS 40390-11-2), with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol. IUPAC: ethyl (2S)-2-(4-chloro-2-methylphenoxy)propanoate.
Chemical Property Profile of Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate
Property Insights of Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate
The XLogP value of 2.97882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate has 0 hydrogen bond donor(s) and 3 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 (1)-2-(4-chloro-2-methylphenoxy)propionate?
The CAS number of Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate is 40390-11-2.
What is the molecular formula of Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate?
The molecular formula of Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate is C12H15ClO3.
What is the molecular weight of Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate?
The molecular weight of Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate is 242.07 g/mol.
Where can I buy Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate?
You can request a quote for Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (1)-2-(4-chloro-2-methylphenoxy)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.