2-Methylheptanal
TL;DR: 2-Methylheptanal (CAS 16630-91-4) 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-methylheptanal
Also Known As: 2-Methylheptanal, methylheptanal, Heptanal, 2-methyl-, Heptanal,methyl, 2-Methylheptan-1-al
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 16630-91-4 |
|---|---|
| SMILES | CCCCCC(C)C=O |
| InChIKey | DHEKCFIOOSCJRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylheptanal (CAS 16630-91-4), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 2-methylheptanal.
Chemical Property Profile of 2-Methylheptanal
Property Insights of 2-Methylheptanal
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylheptanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methylheptanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylheptanal 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-Methylheptanal?
The CAS number of 2-Methylheptanal is 16630-91-4.
What is the molecular formula of 2-Methylheptanal?
The molecular formula of 2-Methylheptanal is C8H16O.
What is the molecular weight of 2-Methylheptanal?
The molecular weight of 2-Methylheptanal is 128.12 g/mol.
Where can I buy 2-Methylheptanal?
You can request a quote for 2-Methylheptanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylheptanal?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylheptanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.