2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate
TL;DR: 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate (CAS 35443-87-9) is a chemical compound with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-4-prop-2-enylphenyl) 2-chloroacetate
Also Known As: eugenyl chloroacetate, 2-methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate, (2-methoxy-4-prop-2-enylphenyl) 2-chloroacetate, Acetic acid, 2-chloro-,2-methoxy-4-(2-propen-1-yl)phenyl ester, RefChem:262561
| Molecular Formula | C12H13ClO3 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.05533 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 35443-87-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC=C)OC(=O)CCl |
| InChIKey | OLPHKVANQRWWKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate (CAS 35443-87-9), with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol. IUPAC: (2-methoxy-4-prop-2-enylphenyl) 2-chloroacetate.
Chemical Property Profile of 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate
Property Insights of 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate 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-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate?
The CAS number of 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate is 35443-87-9.
What is the molecular formula of 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate?
The molecular formula of 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate is C12H13ClO3.
What is the molecular weight of 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate?
The molecular weight of 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate is 240.06 g/mol.
Where can I buy 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate?
You can request a quote for 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-(prop-2-en-1-yl)phenyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.