Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester
TL;DR: Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester (CAS 18625-12-2) is a chemical compound with molecular formula C11H12Cl2O3 and molecular weight 262.01636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(2,4-dichlorophenoxy)butanoate
Also Known As: Methyl 4-(2,4-dichlorophenoxy)butanoate, 2,4-DB-methyl ester, 2,4-DB methyl ester, 2,4-DB-methylester, Spectrum2_001852
Technical Specifications
| Molecular Formula | C11H12Cl2O3 |
| Molecular Weight | 262.01636 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.01636 Da |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
| SMILES | COC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | NKXSNMCGZZWMMW-UHFFFAOYSA-N |
Chemical Property Profile of Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester
Property Insights of Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester
The XLogP value of 3.9 indicates that Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl 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, Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl 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
What is the CAS number of Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester?
The CAS number of Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester is 18625-12-2.
What is the molecular formula of Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester?
The molecular formula of Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester is C11H12Cl2O3.
What is the molecular weight of Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester?
The molecular weight of Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester is 262.01636 g/mol.
Where can I buy Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester?
You can request a quote for Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.