5-Methyl-2-phenyl-hex-2-enal, (2Z)-
TL;DR: 5-Methyl-2-phenyl-hex-2-enal, (2Z)- (CAS 21948-71-0) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-5-methyl-2-phenylhex-2-enal
Also Known As: cocoa hexenal, Cocal, 5-Methyl-2-phenyl-2-hexenal, 5-Methyl-2-phenylhex-2-enal, 2-phenyl-5-methyl-2-hexenal
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.315 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 309.26727 |
Chemical Identifiers
| CAS Number | 21948-71-0 |
|---|---|
| SMILES | CC(C)C/C=C(\C=O)/C1=CC=CC=C1 |
Product Overview
5-Methyl-2-phenyl-hex-2-enal, (2Z)- (CAS 21948-71-0), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: (Z)-5-methyl-2-phenylhex-2-enal.
Chemical Property Profile of 5-Methyl-2-phenyl-hex-2-enal, (2Z)-
Property Insights of 5-Methyl-2-phenyl-hex-2-enal, (2Z)-
The XLogP value of 3.315 indicates that 5-Methyl-2-phenyl-hex-2-enal, (2Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 5-Methyl-2-phenyl-hex-2-enal, (2Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-phenyl-hex-2-enal, (2Z)- has 0 hydrogen bond donor(s) and 1 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 5-Methyl-2-phenyl-hex-2-enal, (2Z)-?
The CAS number of 5-Methyl-2-phenyl-hex-2-enal, (2Z)- is 21948-71-0.
What is the molecular formula of 5-Methyl-2-phenyl-hex-2-enal, (2Z)-?
The molecular formula of 5-Methyl-2-phenyl-hex-2-enal, (2Z)- is C13H16O.
What is the molecular weight of 5-Methyl-2-phenyl-hex-2-enal, (2Z)-?
The molecular weight of 5-Methyl-2-phenyl-hex-2-enal, (2Z)- is 188.12 g/mol.
Where can I buy 5-Methyl-2-phenyl-hex-2-enal, (2Z)-?
You can request a quote for 5-Methyl-2-phenyl-hex-2-enal, (2Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-phenyl-hex-2-enal, (2Z)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-phenyl-hex-2-enal, (2Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.