2-甲基-4-苯基丁醛
TL;DR: 2-甲基-4-苯基丁醛 (CAS 40654-82-8) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-4-苯基丁醛
2-methyl-4-phenylbutanal
Also Known As: 2-Methyl-4-phenylbutanal, 2-Methyl-4-phenylbutyraldehyde, alpha-Methylbenzenebutanal, 4-Phenyl-2-methylbutanal, Benzenebutanal, alpha-methyl-
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 125.0 |
| Boiling Point | 253.00 °C. @ 760.00 mm Hg |
| Density | 0.968-0975 |
| Solubility | Soluble in oils; Insoluble in water |
| Refractive Index | 1.506-1.510 |
Chemical Identifiers
| CAS Number | 40654-82-8 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)C=O |
| InChIKey | RLFLIPVJQTWXKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-4-苯基丁醛 (CAS 40654-82-8), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 2-methyl-4-phenylbutanal.
Chemical Property Profile of 2-甲基-4-苯基丁醛
Property Insights of 2-甲基-4-苯基丁醛
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-4-苯基丁醛. With a topological polar surface area (TPSA) of 17.1 Ų, 2-甲基-4-苯基丁醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-4-苯基丁醛 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 2-甲基-4-苯基丁醛?
The CAS number of 2-甲基-4-苯基丁醛 is 40654-82-8.
What is the molecular formula of 2-甲基-4-苯基丁醛?
The molecular formula of 2-甲基-4-苯基丁醛 is C11H14O.
What is the molecular weight of 2-甲基-4-苯基丁醛?
The molecular weight of 2-甲基-4-苯基丁醛 is 162.10 g/mol.
Where can I buy 2-甲基-4-苯基丁醛?
You can request a quote for 2-甲基-4-苯基丁醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-4-苯基丁醛?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-4-苯基丁醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.