Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester
TL;DR: Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester (CAS 53830-54-9) is a chemical compound with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chloro-3,5-dimethylphenoxy)propanoate
Also Known As: Benzyl(4-chlorophenyl)sulfane, 1-(benzylsulfanyl)-4-chlorobenzene, 1-chloro-4-(phenylmethylthio)benzene, Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester, ethyl 3-(4-chloro-3,5-dimethylphenoxy)propanoate
| Molecular Formula | C13H17ClO3 |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.0866 |
| Heavy Atoms | 17 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 53830-54-9 |
|---|---|
| SMILES | CCOC(=O)CCOC1=CC(=C(C(=C1)C)Cl)C |
| InChIKey | IZVZOJUBPHYREU-UHFFFAOYSA-N |
Product Overview
Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester (CAS 53830-54-9), with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol. IUPAC: ethyl 3-(4-chloro-3,5-dimethylphenoxy)propanoate.
Chemical Property Profile of Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester
Property Insights of Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester
The XLogP value of 3.4 indicates that Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester 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 Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester?
The CAS number of Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester is 53830-54-9.
What is the molecular formula of Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester?
The molecular formula of Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester is C13H17ClO3.
What is the molecular weight of Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester?
The molecular weight of Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester is 256.09 g/mol.
Where can I buy Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester?
You can request a quote for Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 3-(4-chloro-3,5-xylyloxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.