p-Methoxyphenyl acrylate
TL;DR: p-Methoxyphenyl acrylate (CAS 4513-44-4) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) prop-2-enoate
Also Known As: p-Methoxyphenyl acrylate, 4-methoxyphenyl acrylate, (4-methoxyphenyl) prop-2-enoate, 4-metho-xyphenylacrylate, Ibrutinib Impurity 117
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 4513-44-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)C=C |
| InChIKey | WFJNXICXEHGDLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Methoxyphenyl acrylate (CAS 4513-44-4), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: (4-methoxyphenyl) prop-2-enoate.
Chemical Property Profile of p-Methoxyphenyl acrylate
Property Insights of p-Methoxyphenyl acrylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Methoxyphenyl acrylate. With a topological polar surface area (TPSA) of 35.5 Ų, p-Methoxyphenyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Methoxyphenyl acrylate 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 p-Methoxyphenyl acrylate?
The CAS number of p-Methoxyphenyl acrylate is 4513-44-4.
What is the molecular formula of p-Methoxyphenyl acrylate?
The molecular formula of p-Methoxyphenyl acrylate is C10H10O3.
What is the molecular weight of p-Methoxyphenyl acrylate?
The molecular weight of p-Methoxyphenyl acrylate is 178.06 g/mol.
Where can I buy p-Methoxyphenyl acrylate?
You can request a quote for p-Methoxyphenyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Methoxyphenyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for p-Methoxyphenyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.