4,4-Dimethyl-3-oxopentanal
TL;DR: 4,4-Dimethyl-3-oxopentanal (CAS 23459-13-4) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3-oxopentanal
Also Known As: 4,4-Dimethyl-3-oxopentanal, 4,4-DIMETHYL-3-OXO-PENTANAL, Pentanal, 4,4-dimethyl-3-oxo-, 4,4-Dimethyl-3-oxovaleraldehyde, 3-Oxo-4,4-dimethylpentanal
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 23459-13-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC=O |
| InChIKey | VLJKEQYDVMCGHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethyl-3-oxopentanal (CAS 23459-13-4), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 4,4-dimethyl-3-oxopentanal.
Chemical Property Profile of 4,4-Dimethyl-3-oxopentanal
Property Insights of 4,4-Dimethyl-3-oxopentanal
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-3-oxopentanal. With a topological polar surface area (TPSA) of 34.1 Ų, 4,4-Dimethyl-3-oxopentanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-oxopentanal has 0 hydrogen bond donor(s) and 2 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 4,4-Dimethyl-3-oxopentanal?
The CAS number of 4,4-Dimethyl-3-oxopentanal is 23459-13-4.
What is the molecular formula of 4,4-Dimethyl-3-oxopentanal?
The molecular formula of 4,4-Dimethyl-3-oxopentanal is C7H12O2.
What is the molecular weight of 4,4-Dimethyl-3-oxopentanal?
The molecular weight of 4,4-Dimethyl-3-oxopentanal is 128.08 g/mol.
Where can I buy 4,4-Dimethyl-3-oxopentanal?
You can request a quote for 4,4-Dimethyl-3-oxopentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-3-oxopentanal?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-3-oxopentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.