Pentyl (4-chloro-2-methylphenoxy)acetate
TL;DR: Pentyl (4-chloro-2-methylphenoxy)acetate (CAS 84162-58-3) 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.
pentyl 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: Pentyl acetate, Pentyl (4-chloro-2-methylphenoxy)acetate, EINECS 282-318-1, pentyl 2-(4-chloro-2-methylphenoxy)acetate, (4-Chloro-2-methylphenoxy)acetic acid pentyl ester
| Molecular Formula | C14H19ClO3 |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 3.76062 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.10226 |
| Heavy Atoms | 18 |
| Complexity | 390.62555 |
Chemical Identifiers
| CAS Number | 84162-58-3 |
|---|---|
| SMILES | CCCCCOC(=O)COC1=C(C=C(C=C1)Cl)C |
Product Overview
Pentyl (4-chloro-2-methylphenoxy)acetate (CAS 84162-58-3), with molecular formula C14H19ClO3 and molecular weight 270.10 g/mol. IUPAC: pentyl 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of Pentyl (4-chloro-2-methylphenoxy)acetate
Property Insights of Pentyl (4-chloro-2-methylphenoxy)acetate
The XLogP value of 3.76062 indicates that Pentyl (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, Pentyl (4-chloro-2-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl (4-chloro-2-methylphenoxy)acetate 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 Pentyl (4-chloro-2-methylphenoxy)acetate?
The CAS number of Pentyl (4-chloro-2-methylphenoxy)acetate is 84162-58-3.
What is the molecular formula of Pentyl (4-chloro-2-methylphenoxy)acetate?
The molecular formula of Pentyl (4-chloro-2-methylphenoxy)acetate is C14H19ClO3.
What is the molecular weight of Pentyl (4-chloro-2-methylphenoxy)acetate?
The molecular weight of Pentyl (4-chloro-2-methylphenoxy)acetate is 270.10 g/mol.
Where can I buy Pentyl (4-chloro-2-methylphenoxy)acetate?
You can request a quote for Pentyl (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 Pentyl (4-chloro-2-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl (4-chloro-2-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.