(Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid
TL;DR: (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid (CAS 123591-90-2) is a chemical compound with molecular formula C14H14O6 and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid
Also Known As: (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid, (3Z)-4-(2H-1,3-Benzodioxol-5-yl)-3-(ethoxycarbonyl)but-3-enoic acid, (Z)-4-(benzo[d][1,3]dioxol-5-yl)-3-(ethoxycarbonyl)but-3-enoic acid
| Molecular Formula | C14H14O6 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 1.8365 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.07904 |
| Heavy Atoms | 20 |
| Complexity | 560.7826 |
Chemical Identifiers
| CAS Number | 123591-90-2 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/CC(=O)O |
Product Overview
(Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid (CAS 123591-90-2), with molecular formula C14H14O6 and molecular weight 278.08 g/mol. IUPAC: (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid.
Chemical Property Profile of (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid
Property Insights of (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid
The XLogP value of 1.8365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid. Following Lipinski's Rule of Five, (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-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 (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid?
The CAS number of (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid is 123591-90-2.
What is the molecular formula of (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid?
The molecular formula of (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid is C14H14O6.
What is the molecular weight of (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid?
The molecular weight of (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid is 278.08 g/mol.
Where can I buy (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid?
You can request a quote for (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-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 (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.