4-Heptanone, 3-ethyl-
TL;DR: 4-Heptanone, 3-ethyl- (CAS 1528-25-2) is a chemical compound with molecular formula C9H18O and molecular weight 142.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylheptan-4-one
Also Known As: 3-Ethyl-4-heptanone, 3-ethylheptan-4-one, 4-Heptanone, 3-ethyl-, 3-Ethyl 4-heptanone, 4-Heptanone,3-ethyl
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 1528-25-2 |
|---|---|
| SMILES | CCCC(=O)C(CC)CC |
| InChIKey | QMQBUTKELHAKRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Heptanone, 3-ethyl- (CAS 1528-25-2), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: 3-ethylheptan-4-one.
Chemical Property Profile of 4-Heptanone, 3-ethyl-
Property Insights of 4-Heptanone, 3-ethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Heptanone, 3-ethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Heptanone, 3-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptanone, 3-ethyl- 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 4-Heptanone, 3-ethyl-?
The CAS number of 4-Heptanone, 3-ethyl- is 1528-25-2.
What is the molecular formula of 4-Heptanone, 3-ethyl-?
The molecular formula of 4-Heptanone, 3-ethyl- is C9H18O.
What is the molecular weight of 4-Heptanone, 3-ethyl-?
The molecular weight of 4-Heptanone, 3-ethyl- is 142.14 g/mol.
Where can I buy 4-Heptanone, 3-ethyl-?
You can request a quote for 4-Heptanone, 3-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptanone, 3-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptanone, 3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.