Abscissic acid ethyl ester
TL;DR: Abscissic acid ethyl ester (CAS 15764-77-9) is a chemical compound with molecular formula C17H24O4 and molecular weight 292.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoate
Also Known As: Abscissic acid ethyl ester, 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, ethyl ester, (Z,E)-(+-)-, ethyl (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoate, RefChem:1059939
| Molecular Formula | C17H24O4 |
|---|---|
| Molecular Weight | 292.17 g/mol |
| LogP | 2.7284 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.16745 |
| Heavy Atoms | 21 |
| Complexity | 522.9082 |
Chemical Identifiers
| CAS Number | 15764-77-9 |
|---|---|
| SMILES | CCOC(=O)/C=C(/C)\C=C\C1(C(=CC(=O)CC1(C)C)C)O |
Product Overview
Abscissic acid ethyl ester (CAS 15764-77-9), with molecular formula C17H24O4 and molecular weight 292.17 g/mol. IUPAC: ethyl (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoate.
Chemical Property Profile of Abscissic acid ethyl ester
Property Insights of Abscissic acid ethyl ester
The XLogP value of 2.7284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Abscissic acid ethyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Abscissic acid ethyl ester. Following Lipinski's Rule of Five, Abscissic acid ethyl ester has 1 hydrogen bond donor(s) and 4 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 Abscissic acid ethyl ester?
The CAS number of Abscissic acid ethyl ester is 15764-77-9.
What is the molecular formula of Abscissic acid ethyl ester?
The molecular formula of Abscissic acid ethyl ester is C17H24O4.
What is the molecular weight of Abscissic acid ethyl ester?
The molecular weight of Abscissic acid ethyl ester is 292.17 g/mol.
Where can I buy Abscissic acid ethyl ester?
You can request a quote for Abscissic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abscissic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Abscissic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.