(3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid
TL;DR: (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid (CAS 111441-71-5) is a chemical compound with molecular formula C19H16O4 and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z,2Z)-2-benzylidene-3-methoxycarbonyl-4-phenylbut-3-enoic acid
Also Known As: (2Z,3Z)-2-benzylidene-3-(methoxycarbonyl)-4-phenylbut-3-enoic acid, (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid, 2-benzylidene-3-methoxycarbonyl-4-phenyl-but-3-enoic Acid, (Z,2Z)-2-benzylidene-3-methoxycarbonyl-4-phenylbut-3-enoic acid
| Molecular Formula | C19H16O4 |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 3.4112 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.10486 |
| Heavy Atoms | 23 |
| Complexity | 743.4538 |
Chemical Identifiers
| CAS Number | 111441-71-5 |
|---|---|
| SMILES | COC(=O)/C(=C\C1=CC=CC=C1)/C(=C/C2=CC=CC=C2)/C(=O)O |
Product Overview
(3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid (CAS 111441-71-5), with molecular formula C19H16O4 and molecular weight 308.10 g/mol. IUPAC: (Z,2Z)-2-benzylidene-3-methoxycarbonyl-4-phenylbut-3-enoic acid.
Chemical Property Profile of (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid
Property Insights of (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid
The XLogP value of 3.4112 indicates that (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid. Following Lipinski's Rule of Five, (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-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 (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid?
The CAS number of (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid is 111441-71-5.
What is the molecular formula of (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid?
The molecular formula of (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid is C19H16O4.
What is the molecular weight of (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid?
The molecular weight of (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid is 308.10 g/mol.
Where can I buy (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid?
You can request a quote for (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)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 (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-(methoxycarbonyl)-4-phenyl-2-(phenylmethylene)but-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.