2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate
TL;DR: 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate (CAS 97635-42-2) is a chemical compound with molecular formula C15H21ClO3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutyl 2-(4-chloro-2-methylphenoxy)propanoate
Also Known As: 2-methylbutyl2- propionate, EINECS 307-402-8, 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate, 2-methylbutyl 2-(4-chloro-2-methylphenoxy)propanoate, 2-(4-Chloro-2-methylphenoxy)propanoic acid 2-methylbutyl ester
| Molecular Formula | C15H21ClO3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 4.00502 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.11792 |
| Heavy Atoms | 19 |
| Complexity | 431.3989 |
Chemical Identifiers
| CAS Number | 97635-42-2 |
|---|---|
| SMILES | CCC(C)COC(=O)C(C)OC1=C(C=C(C=C1)Cl)C |
Product Overview
2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate (CAS 97635-42-2), with molecular formula C15H21ClO3 and molecular weight 284.12 g/mol. IUPAC: 2-methylbutyl 2-(4-chloro-2-methylphenoxy)propanoate.
Chemical Property Profile of 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate
Property Insights of 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate
The XLogP value of 4.00502 indicates that 2-Methylbutyl 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 35.53 Ų, 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutyl 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 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate?
The CAS number of 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate is 97635-42-2.
What is the molecular formula of 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular formula of 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate is C15H21ClO3.
What is the molecular weight of 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular weight of 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate is 284.12 g/mol.
Where can I buy 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate?
You can request a quote for 2-Methylbutyl 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 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbutyl 2-(4-chloro-2-methylphenoxy)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.