3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid
TL;DR: 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid (CAS 42151-35-9) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxycarbonyl-4-(4-methoxyphenyl)but-3-enoic acid
Also Known As: 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid, 2-(4-methoxybenzylidene)succinic acid 1-methyl ester, 3-methoxycarbonyl-4-(4-methoxyphenyl)but-3-enoic acid, (3E)-3-(methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid, (E)-3-methoxycarbonyl-4-(4-methoxyphenyl)but-3-enoic acid
| Molecular Formula | C13H14O5 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.08412 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 42151-35-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C(CC(=O)O)C(=O)OC |
| InChIKey | JCZVRPGUXODGAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid (CAS 42151-35-9), with molecular formula C13H14O5 and molecular weight 250.08 g/mol. IUPAC: 3-methoxycarbonyl-4-(4-methoxyphenyl)but-3-enoic acid.
Chemical Property Profile of 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid
Property Insights of 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid. Following Lipinski's Rule of Five, 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid has 1 hydrogen bond donor(s) and 5 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-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid?
The CAS number of 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid is 42151-35-9.
What is the molecular formula of 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid?
The molecular formula of 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid is C13H14O5.
What is the molecular weight of 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid?
The molecular weight of 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid is 250.08 g/mol.
Where can I buy 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid?
You can request a quote for 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-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-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxycarbonyl)-4-(4-methoxyphenyl)but-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.