2,4-Dimethylpentanal
TL;DR: 2,4-Dimethylpentanal (CAS 27944-79-2) 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.
2,4-dimethylpentanal
Also Known As: 2,4-DIMETHYLPENTANAL, Pentanal, 2,4-dimethyl-, Pentanal,4-dimethyl-, Valeraldehyde, 2,4-dimethyl-, 2,4-dimethyl-pentanal
| 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 | 3 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 27944-79-2 |
|---|---|
| SMILES | CC(C)CC(C)C=O |
| InChIKey | GPTMCJMLSOIYGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethylpentanal (CAS 27944-79-2), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 2,4-dimethylpentanal.
Chemical Property Profile of 2,4-Dimethylpentanal
Property Insights of 2,4-Dimethylpentanal
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylpentanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4-Dimethylpentanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylpentanal 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 2,4-Dimethylpentanal?
The CAS number of 2,4-Dimethylpentanal is 27944-79-2.
What is the molecular formula of 2,4-Dimethylpentanal?
The molecular formula of 2,4-Dimethylpentanal is C7H14O.
What is the molecular weight of 2,4-Dimethylpentanal?
The molecular weight of 2,4-Dimethylpentanal is 114.10 g/mol.
Where can I buy 2,4-Dimethylpentanal?
You can request a quote for 2,4-Dimethylpentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylpentanal?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylpentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.