苯丙醛 β-甲基-3-(1-甲基乙烯基)-
TL;DR: 苯丙醛 β-甲基-3-(1-甲基乙烯基)- (CAS 125109-84-4) 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.
苯丙醛 β-甲基-3-(1-甲基乙烯基)-
3-(3-prop-1-en-2-ylphenyl)butanal
Also Known As: 3-(3-Isopropenylphenyl)butanal, 3-(3-propen-2-ylphenyl)butanal, Butanal, 3-(3-(1-methylethenyl)phenyl)-, 3-(3-prop-1-en-2-ylphenyl)butanal, Benzenepropanal, beta-methyl-3-(1-methylethenyl)-
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 125109-84-4 |
|---|---|
| SMILES | CC(CC=O)C1=CC(=CC=C1)C(=C)C |
| InChIKey | YYANKIXCOSAFMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯丙醛 β-甲基-3-(1-甲基乙烯基)- (CAS 125109-84-4), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 3-(3-prop-1-en-2-ylphenyl)butanal.
Chemical Property Profile of 苯丙醛 β-甲基-3-(1-甲基乙烯基)-
Property Insights of 苯丙醛 β-甲基-3-(1-甲基乙烯基)-
The XLogP value of 3.3 indicates that 苯丙醛 β-甲基-3-(1-甲基乙烯基)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 苯丙醛 β-甲基-3-(1-甲基乙烯基)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯丙醛 β-甲基-3-(1-甲基乙烯基)- 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 苯丙醛 β-甲基-3-(1-甲基乙烯基)-?
The CAS number of 苯丙醛 β-甲基-3-(1-甲基乙烯基)- is 125109-84-4.
What is the molecular formula of 苯丙醛 β-甲基-3-(1-甲基乙烯基)-?
The molecular formula of 苯丙醛 β-甲基-3-(1-甲基乙烯基)- is C13H16O.
What is the molecular weight of 苯丙醛 β-甲基-3-(1-甲基乙烯基)-?
The molecular weight of 苯丙醛 β-甲基-3-(1-甲基乙烯基)- is 188.12 g/mol.
Where can I buy 苯丙醛 β-甲基-3-(1-甲基乙烯基)-?
You can request a quote for 苯丙醛 β-甲基-3-(1-甲基乙烯基)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯丙醛 β-甲基-3-(1-甲基乙烯基)-?
Yes, KEHONG BIO provides custom synthesis services for 苯丙醛 β-甲基-3-(1-甲基乙烯基)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.