Isocaproaldehyde
TL;DR: Isocaproaldehyde (CAS 1119-16-0) is a chemical compound with molecular formula C6H12O and molecular weight 100.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylpentanal
Also Known As: 4-methylpentanal, 4-Methylvaleraldehyde, isocaproaldehyde, isohexanal, Pentanal, 4-methyl-
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O |
| Molecular Weight | 100.08881 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.08881 Da |
| Heavy Atoms | 7 |
| Complexity | 48.0 |
| SMILES | CC(C)CCC=O |
| InChIKey | JGEGJYXHCFUMJF-UHFFFAOYSA-N |
Product Description
Applications: Isocaproaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isocaproaldehyde (CAS 1119-16-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Isocaproaldehyde (CAS 1119-16-0) has the molecular formula C6H12O and a molecular weight of 100.09 g/mol. It is also known as 4-methylpentanal and 4-Methylvaleraldehyde.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isocaproaldehyde
Property Insights of Isocaproaldehyde
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocaproaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, Isocaproaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocaproaldehyde 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
What is the CAS number of Isocaproaldehyde?
The CAS number of Isocaproaldehyde is 1119-16-0.
What is the molecular formula of Isocaproaldehyde?
The molecular formula of Isocaproaldehyde is C6H12O.
What is the molecular weight of Isocaproaldehyde?
The molecular weight of Isocaproaldehyde is 100.08881 g/mol.
What are the applications of Isocaproaldehyde?
Isocaproaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isocaproaldehyde (CAS 1119-16-0) with...
Where can I buy Isocaproaldehyde?
You can request a quote for Isocaproaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isocaproaldehyde?
Yes, CoreyChem provides custom synthesis services for Isocaproaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.