![3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid structure](/static/products/5128/512809-94-8.webp)
3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid
TL;DR: 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid (CAS 512809-94-8) is a chemical compound with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
Also Known As: 3-[3-[(4-chlorophenoxy)methyl]-4-methoxy-phenyl]prop-2-enoic Acid, (2E)-3-{3-[(4-CHLOROPHENOXY)METHYL]-4-METHOXYPHENYL}ACRYLIC ACID, 3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid, 3-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid, 2-Propenoic acid, 3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-
| Molecular Formula | C17H15ClO4 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 4.0254 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0659 |
| Heavy Atoms | 22 |
| Complexity | 677.55835 |
Chemical Identifiers
| CAS Number | 512809-94-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=CC(=O)O)COC2=CC=C(C=C2)Cl |
Product Overview
3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid (CAS 512809-94-8), with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol. IUPAC: 3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid
Property Insights of 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid
The XLogP value of 4.0254 indicates that 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid has 1 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 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid?
The CAS number of 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid is 512809-94-8.
What is the molecular formula of 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid?
The molecular formula of 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid is C17H15ClO4.
What is the molecular weight of 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid?
The molecular weight of 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid is 318.07 g/mol.
Where can I buy 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid?
You can request a quote for 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.