2,3,4-Trimethylpentanal
TL;DR: 2,3,4-Trimethylpentanal (CAS 3601-65-8) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4-trimethylpentanal
Also Known As: 2,3,4-trimethylpentanal, 2,3,4-Trimethylvaleraldehyde, Pentanal,2,3,4-trimethyl, Pentanal,2,3,4-trimethyl-, EINECS 222-755-7
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 3601-65-8 |
|---|---|
| SMILES | CC(C)C(C)C(C)C=O |
| InChIKey | SITBGJYOJQJHHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4-Trimethylpentanal (CAS 3601-65-8), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 2,3,4-trimethylpentanal.
Chemical Property Profile of 2,3,4-Trimethylpentanal
Property Insights of 2,3,4-Trimethylpentanal
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Trimethylpentanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3,4-Trimethylpentanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trimethylpentanal 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 2,3,4-Trimethylpentanal?
The CAS number of 2,3,4-Trimethylpentanal is 3601-65-8.
What is the molecular formula of 2,3,4-Trimethylpentanal?
The molecular formula of 2,3,4-Trimethylpentanal is C8H16O.
What is the molecular weight of 2,3,4-Trimethylpentanal?
The molecular weight of 2,3,4-Trimethylpentanal is 128.12 g/mol.
Where can I buy 2,3,4-Trimethylpentanal?
You can request a quote for 2,3,4-Trimethylpentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Trimethylpentanal?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trimethylpentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.