3-Methylheptan-2-one
TL;DR: 3-Methylheptan-2-one (CAS 2371-19-9) 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.
3-methylheptan-2-one
Also Known As: 3-Methylheptan-2-one, 3-Methyl-2-heptanone, 2-Heptanone, 3-methyl-, 3-octanon, 3-methyl-heptan-2-one
| 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 | 4 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 2371-19-9 |
|---|---|
| SMILES | CCCCC(C)C(=O)C |
| InChIKey | UHRZLJZZZDOHEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylheptan-2-one (CAS 2371-19-9), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 3-methylheptan-2-one.
Chemical Property Profile of 3-Methylheptan-2-one
Property Insights of 3-Methylheptan-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylheptan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methylheptan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylheptan-2-one 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 3-Methylheptan-2-one?
The CAS number of 3-Methylheptan-2-one is 2371-19-9.
What is the molecular formula of 3-Methylheptan-2-one?
The molecular formula of 3-Methylheptan-2-one is C8H16O.
What is the molecular weight of 3-Methylheptan-2-one?
The molecular weight of 3-Methylheptan-2-one is 128.12 g/mol.
Where can I buy 3-Methylheptan-2-one?
You can request a quote for 3-Methylheptan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylheptan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylheptan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.