6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate
TL;DR: 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate (CAS 93840-66-5) is a chemical compound with molecular formula C19H29ClO3 and molecular weight 340.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 4-(3-chloro-2-methylphenoxy)butanoate
Also Known As: EINECS 298-931-2, 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate, 6-methylheptyl 4-(3-chloro-2-methylphenoxy)butanoate, 298-931-2, RefChem:105037
| Molecular Formula | C19H29ClO3 |
|---|---|
| Molecular Weight | 340.18 g/mol |
| LogP | 5.56702 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 340.1805 |
| Heavy Atoms | 23 |
| Complexity | 471.68256 |
Chemical Identifiers
| CAS Number | 93840-66-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)OCCCC(=O)OCCCCCC(C)C |
Product Overview
6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate (CAS 93840-66-5), with molecular formula C19H29ClO3 and molecular weight 340.18 g/mol. IUPAC: 6-methylheptyl 4-(3-chloro-2-methylphenoxy)butanoate.
Chemical Property Profile of 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate
Property Insights of 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate
The XLogP value of 5.56702 indicates that 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate 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 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate?
The CAS number of 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate is 93840-66-5.
What is the molecular formula of 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate?
The molecular formula of 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate is C19H29ClO3.
What is the molecular weight of 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate?
The molecular weight of 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate is 340.18 g/mol.
Where can I buy 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate?
You can request a quote for 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.