脱落醛
TL;DR: 脱落醛 (CAS 41944-86-9) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱落醛
(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienal
Also Known As: Abscisic aldehyde, (+)-abscisic aldehyde, (+)-Abscisyl aldehyde, Abscisic aldehyde, (+)-, (+)-cis-abscisic aldehyde
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.3642 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 452.35916 |
Chemical Identifiers
| CAS Number | 41944-86-9 |
|---|---|
| SMILES | CC1=CC(=O)CC([C@]1(/C=C/C(=C\C=O)/C)O)(C)C |
Product Overview
脱落醛 (CAS 41944-86-9), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienal.
Chemical Property Profile of 脱落醛
Property Insights of 脱落醛
The XLogP value of 2.3642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 脱落醛. With a topological polar surface area (TPSA) of 54.37 Ų, 脱落醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 脱落醛 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 脱落醛?
The CAS number of 脱落醛 is 41944-86-9.
What is the molecular formula of 脱落醛?
The molecular formula of 脱落醛 is C15H20O3.
What is the molecular weight of 脱落醛?
The molecular weight of 脱落醛 is 248.14 g/mol.
Where can I buy 脱落醛?
You can request a quote for 脱落醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脱落醛?
Yes, KEHONG BIO provides custom synthesis services for 脱落醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.