Nonyl (4-chloro-2-methylphenoxy)acetate
TL;DR: Nonyl (4-chloro-2-methylphenoxy)acetate (CAS 67829-80-5) is a chemical compound with molecular formula C18H27ClO3 and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: NONYL ACETATE, Nonyl (4-chloro-2-methylphenoxy)acetate, EINECS 267-296-3, nonyl 2-(4-chloro-2-methylphenoxy)acetate, (4-Chloro-2-methylphenoxy)acetic acid nonyl ester
| Molecular Formula | C18H27ClO3 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 5.32102 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 326.1649 |
| Heavy Atoms | 22 |
| Complexity | 445.95847 |
Chemical Identifiers
| CAS Number | 67829-80-5 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)COC1=C(C=C(C=C1)Cl)C |
Product Overview
Nonyl (4-chloro-2-methylphenoxy)acetate (CAS 67829-80-5), with molecular formula C18H27ClO3 and molecular weight 326.16 g/mol. IUPAC: nonyl 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of Nonyl (4-chloro-2-methylphenoxy)acetate
Property Insights of Nonyl (4-chloro-2-methylphenoxy)acetate
The XLogP value of 5.32102 indicates that Nonyl (4-chloro-2-methylphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Nonyl (4-chloro-2-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl (4-chloro-2-methylphenoxy)acetate 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 Nonyl (4-chloro-2-methylphenoxy)acetate?
The CAS number of Nonyl (4-chloro-2-methylphenoxy)acetate is 67829-80-5.
What is the molecular formula of Nonyl (4-chloro-2-methylphenoxy)acetate?
The molecular formula of Nonyl (4-chloro-2-methylphenoxy)acetate is C18H27ClO3.
What is the molecular weight of Nonyl (4-chloro-2-methylphenoxy)acetate?
The molecular weight of Nonyl (4-chloro-2-methylphenoxy)acetate is 326.16 g/mol.
Where can I buy Nonyl (4-chloro-2-methylphenoxy)acetate?
You can request a quote for Nonyl (4-chloro-2-methylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl (4-chloro-2-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl (4-chloro-2-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.