Propyl (4-chloro-2-methylphenoxy)acetate
TL;DR: Propyl (4-chloro-2-methylphenoxy)acetate (CAS 2698-39-7) is a chemical compound with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: 2M-4C, propyl ester, Propyl (4-chloro-2-methylphenoxy)acetate, NCIOpen2_004300, propyl 2-(4-chloro-2-methylphenoxy)acetate, propyl(4-chloro-2-methylphenoxy)acetate
| Molecular Formula | C12H15ClO3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.07097 |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 2698-39-7 |
|---|---|
| SMILES | CCCOC(=O)COC1=C(C=C(C=C1)Cl)C |
| InChIKey | DVMRDJHXBLTNCC-UHFFFAOYSA-N |
Product Overview
Propyl (4-chloro-2-methylphenoxy)acetate (CAS 2698-39-7), with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol. IUPAC: propyl 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of Propyl (4-chloro-2-methylphenoxy)acetate
Property Insights of Propyl (4-chloro-2-methylphenoxy)acetate
The XLogP value of 3.7 indicates that Propyl (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 35.5 Ų, Propyl (4-chloro-2-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl (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 Propyl (4-chloro-2-methylphenoxy)acetate?
The CAS number of Propyl (4-chloro-2-methylphenoxy)acetate is 2698-39-7.
What is the molecular formula of Propyl (4-chloro-2-methylphenoxy)acetate?
The molecular formula of Propyl (4-chloro-2-methylphenoxy)acetate is C12H15ClO3.
What is the molecular weight of Propyl (4-chloro-2-methylphenoxy)acetate?
The molecular weight of Propyl (4-chloro-2-methylphenoxy)acetate is 242.07 g/mol.
Where can I buy Propyl (4-chloro-2-methylphenoxy)acetate?
You can request a quote for Propyl (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 Propyl (4-chloro-2-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl (4-chloro-2-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.