3-庚酮
TL;DR: 3-庚酮 (CAS 106-35-4) 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.
3-庚酮
heptan-3-one
Also Known As: 3-Heptanone, Heptan-3-one, Butyl ethyl ketone, Aethylbutylketon, Ethylbutylcetone
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Melting Point | -38.9 °C |
| Boiling Point | 147.2 °C at 760 mmHg |
| Density | 0.818 - Less dense than water; will float |
| Solubility | 1 % (NIOSH, 2024) |
| Flash Point | 46.1 °C |
| Vapor Pressure | 4 mmHg |
| Refractive Index | 1.4057 at 20 °C |
Chemical Identifiers
| CAS Number | 106-35-4 |
|---|---|
| SMILES | CCCCC(=O)CC |
| InChIKey | NGAZZOYFWWSOGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-庚酮 (CAS 106-35-4), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: heptan-3-one.
Chemical Property Profile of 3-庚酮
Property Insights of 3-庚酮
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-庚酮. With a topological polar surface area (TPSA) of 17.1 Ų, 3-庚酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-庚酮 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-庚酮?
The CAS number of 3-庚酮 is 106-35-4.
What is the molecular formula of 3-庚酮?
The molecular formula of 3-庚酮 is C7H14O.
What is the molecular weight of 3-庚酮?
The molecular weight of 3-庚酮 is 114.10 g/mol.
Where can I buy 3-庚酮?
You can request a quote for 3-庚酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-庚酮?
Yes, KEHONG BIO provides custom synthesis services for 3-庚酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.