2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate
TL;DR: 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate (CAS 51550-64-2) is a chemical compound with molecular formula C14H18Cl2O3 and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-(2,4-dichlorophenoxy)butanoate
Also Known As: 2,4-DB-isobutyl, 2,4-DB isobutyl ester, isobutyl4- butyrate, Isobutyl 4-(2,4-dichlorophenoxy)butyrate, 2-methylpropyl 4-(2,4-dichlorophenoxy)butanoate
| Molecular Formula | C14H18Cl2O3 |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 304.0633 |
| Heavy Atoms | 19 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 51550-64-2 |
|---|---|
| SMILES | CC(C)COC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | ASZGOMRWZJMION-UHFFFAOYSA-N |
Product Overview
2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate (CAS 51550-64-2), with molecular formula C14H18Cl2O3 and molecular weight 304.06 g/mol. IUPAC: 2-methylpropyl 4-(2,4-dichlorophenoxy)butanoate.
Chemical Property Profile of 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate
Property Insights of 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate
The XLogP value of 5.2 indicates that 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate 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-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate?
The CAS number of 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate is 51550-64-2.
What is the molecular formula of 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate?
The molecular formula of 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate is C14H18Cl2O3.
What is the molecular weight of 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate?
The molecular weight of 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate is 304.06 g/mol.
Where can I buy 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate?
You can request a quote for 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl 4-(2,4-dichlorophenoxy)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.