Isobutyl 2-(4-chloro-2-methylphenoxy)propionate
TL;DR: Isobutyl 2-(4-chloro-2-methylphenoxy)propionate (CAS 94159-21-4) is a chemical compound with molecular formula C14H19ClO3 and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-(4-chloro-2-methylphenoxy)propanoate
Also Known As: mecoprop-isobutyl, Mecoprop-P-isobutyl, Mecoprop-P-isobutyl [ISO], Isobutyl 2-(4-chloro-2-methylphenoxy)propionate, Isobutyl (-)-2-(4-chloro-2-methylphenoxy)propionate
| Molecular Formula | C14H19ClO3 |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.10226 |
| Heavy Atoms | 18 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 94159-21-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCC(C)C |
| InChIKey | RMPYJRQOSTUDNH-UHFFFAOYSA-N |
Product Overview
Isobutyl 2-(4-chloro-2-methylphenoxy)propionate (CAS 94159-21-4), with molecular formula C14H19ClO3 and molecular weight 270.10 g/mol. IUPAC: 2-methylpropyl 2-(4-chloro-2-methylphenoxy)propanoate.
Chemical Property Profile of Isobutyl 2-(4-chloro-2-methylphenoxy)propionate
Property Insights of Isobutyl 2-(4-chloro-2-methylphenoxy)propionate
The XLogP value of 4.8 indicates that Isobutyl 2-(4-chloro-2-methylphenoxy)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Isobutyl 2-(4-chloro-2-methylphenoxy)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 2-(4-chloro-2-methylphenoxy)propionate 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 Isobutyl 2-(4-chloro-2-methylphenoxy)propionate?
The CAS number of Isobutyl 2-(4-chloro-2-methylphenoxy)propionate is 94159-21-4.
What is the molecular formula of Isobutyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular formula of Isobutyl 2-(4-chloro-2-methylphenoxy)propionate is C14H19ClO3.
What is the molecular weight of Isobutyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular weight of Isobutyl 2-(4-chloro-2-methylphenoxy)propionate is 270.10 g/mol.
Where can I buy Isobutyl 2-(4-chloro-2-methylphenoxy)propionate?
You can request a quote for Isobutyl 2-(4-chloro-2-methylphenoxy)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2-(4-chloro-2-methylphenoxy)propionate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-(4-chloro-2-methylphenoxy)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.