2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate
TL;DR: 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate (CAS 94232-74-3) is a chemical compound with molecular formula C19H29ClO3 and molecular weight 340.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 4-(4-chloro-2-methylphenoxy)butanoate
Also Known As: MCPB-ethylhexylester, MCPB-2-ethylhexylester, 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate, EINECS 304-003-0, 2-ethylhexyl 4-(4-chloro-2-methylphenoxy)butanoate
| Molecular Formula | C19H29ClO3 |
|---|---|
| Molecular Weight | 340.18 g/mol |
| LogP | 5.56702 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 340.1805 |
| Heavy Atoms | 23 |
| Complexity | 473.68256 |
Chemical Identifiers
| CAS Number | 94232-74-3 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCCOC1=C(C=C(C=C1)Cl)C |
Product Overview
2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate (CAS 94232-74-3), with molecular formula C19H29ClO3 and molecular weight 340.18 g/mol. IUPAC: 2-ethylhexyl 4-(4-chloro-2-methylphenoxy)butanoate.
Chemical Property Profile of 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate
Property Insights of 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate
The XLogP value of 5.56702 indicates that 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate?
The CAS number of 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate is 94232-74-3.
What is the molecular formula of 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate?
The molecular formula of 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate is C19H29ClO3.
What is the molecular weight of 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate?
The molecular weight of 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate is 340.18 g/mol.
Where can I buy 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate?
You can request a quote for 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.