(4-Chloro-2-methylphenoxy)acetic acid isooctyl ester
TL;DR: (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester (CAS 1238777-58-6) is a chemical compound with molecular formula C17H25ClO3 and molecular weight 312.14923 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methylheptyl 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: MCPA-isooctyl, mcpa isooctyl, MCPAIsooctylEster, MCPA ISOOCTYL ESTER, isooctyl MCPA
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H25ClO3 |
| Molecular Weight | 312.14923 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 312.14923 Da |
| Heavy Atoms | 21 |
| Complexity | 294.0 |
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)OCCCCCC(C)C |
| InChIKey | PDIYKJRLQHHRAG-UHFFFAOYSA-N |
Chemical Property Profile of (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester
Property Insights of (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester
The XLogP value of 5.9 indicates that (4-Chloro-2-methylphenoxy)acetic acid isooctyl 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, (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester?
The CAS number of (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester is 1238777-58-6.
What is the molecular formula of (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester?
The molecular formula of (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester is C17H25ClO3.
What is the molecular weight of (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester?
The molecular weight of (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester is 312.14923 g/mol.
Where can I buy (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester?
You can request a quote for (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester?
Yes, CoreyChem provides custom synthesis services for (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.