![Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate structure](/static/products/2391/23918-07-2.webp)
Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate
TL;DR: Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate (CAS 23918-07-2) 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.
methyl 2-(4-chloro-3-prop-2-enoxyphenyl)acetate
Also Known As: Methyl (4-(allyloxy)-3-chlorophenyl)acetate, methyl[4-chloro-3-(prop-2-en-1-yloxy)phenyl]acetate, methyl 2-(4-chloro-3-prop-2-enoxyphenyl)acetate, Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate, EINECS 245-940-4
| Molecular Formula | C12H13ClO3 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 2.8 |
| 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 | 23918-07-2 |
|---|---|
| SMILES | COC(=O)CC1=CC(=C(C=C1)Cl)OCC=C |
| InChIKey | KPOXGOBDXQIROJ-UHFFFAOYSA-N |
Product Overview
Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate (CAS 23918-07-2), with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol. IUPAC: methyl 2-(4-chloro-3-prop-2-enoxyphenyl)acetate.
Chemical Property Profile of Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate
Property Insights of Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}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 Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate?
The CAS number of Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate is 23918-07-2.
What is the molecular formula of Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate?
The molecular formula of Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate is C12H13ClO3.
What is the molecular weight of Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate?
The molecular weight of Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate is 240.06 g/mol.
Where can I buy Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate?
You can request a quote for Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {4-chloro-3-[(prop-2-en-1-yl)oxy]phenyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.