Methyl abscisate
TL;DR: Methyl abscisate (CAS 60102-39-8) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoate
Also Known As: Methyl abscisate, methyl (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoate
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 2.3383 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 508.56992 |
Chemical Identifiers
| CAS Number | 60102-39-8 |
|---|---|
| SMILES | CC1=CC(=O)CC(C1(/C=C/C(=C/C(=O)OC)/C)O)(C)C |
Product Overview
Methyl abscisate (CAS 60102-39-8), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: methyl (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoate.
Chemical Property Profile of Methyl abscisate
Property Insights of Methyl abscisate
The XLogP value of 2.3383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl abscisate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl abscisate. Following Lipinski's Rule of Five, Methyl abscisate 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 Methyl abscisate?
The CAS number of Methyl abscisate is 60102-39-8.
What is the molecular formula of Methyl abscisate?
The molecular formula of Methyl abscisate is C16H22O4.
What is the molecular weight of Methyl abscisate?
The molecular weight of Methyl abscisate is 278.15 g/mol.
Where can I buy Methyl abscisate?
You can request a quote for Methyl abscisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl abscisate?
Yes, KEHONG BIO provides custom synthesis services for Methyl abscisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.