4-(3-氯苯氧基)丁酸乙酯
TL;DR: 4-(3-氯苯氧基)丁酸乙酯 (CAS 37483-53-7) 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.
4-(3-氯苯氧基)丁酸乙酯
ethyl 4-(3-chlorophenoxy)butanoate
Also Known As: ethyl 4-(3-chlorophenoxy)butanoate, 4-(3-CHLORO-PHENOXY)-BUTYRIC ACID ETHYL ESTER, Ethyl 4-(3-chlorophenoxy)butyrate, 4- -BUTYRICACIDETHYLESTER, 4-(3-Chlorophenoxy)butanoic acid ethyl ester
| Molecular Formula | C12H15ClO3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.07097 |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 37483-53-7 |
|---|---|
| SMILES | CCOC(=O)CCCOC1=CC(=CC=C1)Cl |
| InChIKey | XHLJBGLIWSMMOV-UHFFFAOYSA-N |
Product Overview
4-(3-氯苯氧基)丁酸乙酯 (CAS 37483-53-7), with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol. IUPAC: ethyl 4-(3-chlorophenoxy)butanoate.
Chemical Property Profile of 4-(3-氯苯氧基)丁酸乙酯
Property Insights of 4-(3-氯苯氧基)丁酸乙酯
The XLogP value of 3.1 indicates that 4-(3-氯苯氧基)丁酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4-(3-氯苯氧基)丁酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-氯苯氧基)丁酸乙酯 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 4-(3-氯苯氧基)丁酸乙酯?
The CAS number of 4-(3-氯苯氧基)丁酸乙酯 is 37483-53-7.
What is the molecular formula of 4-(3-氯苯氧基)丁酸乙酯?
The molecular formula of 4-(3-氯苯氧基)丁酸乙酯 is C12H15ClO3.
What is the molecular weight of 4-(3-氯苯氧基)丁酸乙酯?
The molecular weight of 4-(3-氯苯氧基)丁酸乙酯 is 242.07 g/mol.
Where can I buy 4-(3-氯苯氧基)丁酸乙酯?
You can request a quote for 4-(3-氯苯氧基)丁酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-氯苯氧基)丁酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-氯苯氧基)丁酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.