2,3-Dimethylpentanal
TL;DR: 2,3-Dimethylpentanal (CAS 32749-94-3) 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.
2,3-dimethylpentanal
Also Known As: 2,3-Dimethylpentanal, 2,3-Dimethylvaleraldehyde, Pentanal, 2,3-dimethyl-, 2,3-Dimethylpentaldehyde, 2,3-Dimethyl-pentanal
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 2.1 |
| 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 | 68.0 |
Chemical Identifiers
| CAS Number | 32749-94-3 |
|---|---|
| SMILES | CCC(C)C(C)C=O |
| InChIKey | BOHKXQAJUVXBDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dimethylpentanal (CAS 32749-94-3), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 2,3-dimethylpentanal.
Chemical Property Profile of 2,3-Dimethylpentanal
Property Insights of 2,3-Dimethylpentanal
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethylpentanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3-Dimethylpentanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-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 2,3-Dimethylpentanal?
The CAS number of 2,3-Dimethylpentanal is 32749-94-3.
What is the molecular formula of 2,3-Dimethylpentanal?
The molecular formula of 2,3-Dimethylpentanal is C7H14O.
What is the molecular weight of 2,3-Dimethylpentanal?
The molecular weight of 2,3-Dimethylpentanal is 114.10 g/mol.
Where can I buy 2,3-Dimethylpentanal?
You can request a quote for 2,3-Dimethylpentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylpentanal?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylpentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.