Hexanal, 4-methyl-
TL;DR: Hexanal, 4-methyl- (CAS 41065-97-8) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylhexanal
Also Known As: 4-METHYLHEXANAL, Hexanal, 4-methyl-, 4-Methylhexanal #, RefChem:1086567
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 41065-97-8 |
|---|---|
| SMILES | CCC(C)CCC=O |
| InChIKey | GIGNTOMJQYNUNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanal, 4-methyl- (CAS 41065-97-8), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 4-methylhexanal.
Chemical Property Profile of Hexanal, 4-methyl-
Property Insights of Hexanal, 4-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanal, 4-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Hexanal, 4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanal, 4-methyl- 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 Hexanal, 4-methyl-?
The CAS number of Hexanal, 4-methyl- is 41065-97-8.
What is the molecular formula of Hexanal, 4-methyl-?
The molecular formula of Hexanal, 4-methyl- is C7H14O.
What is the molecular weight of Hexanal, 4-methyl-?
The molecular weight of Hexanal, 4-methyl- is 114.10 g/mol.
Where can I buy Hexanal, 4-methyl-?
You can request a quote for Hexanal, 4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanal, 4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Hexanal, 4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.