1-庚烯-3-酮
TL;DR: 1-庚烯-3-酮 (CAS 2918-13-0) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-庚烯-3-酮
hept-1-en-3-one
Also Known As: 1-Hepten-3-one, hept-1-en-3-one, n-butylacrolein, 1-heptene-3-one, vinyl butyl ketone
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 2918-13-0 |
|---|---|
| SMILES | CCCCC(=O)C=C |
| InChIKey | OYLCUJRJCUXQBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-庚烯-3-酮 (CAS 2918-13-0), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: hept-1-en-3-one.
Chemical Property Profile of 1-庚烯-3-酮
Property Insights of 1-庚烯-3-酮
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-庚烯-3-酮. With a topological polar surface area (TPSA) of 17.1 Ų, 1-庚烯-3-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-庚烯-3-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 1-庚烯-3-酮?
The CAS number of 1-庚烯-3-酮 is 2918-13-0.
What is the molecular formula of 1-庚烯-3-酮?
The molecular formula of 1-庚烯-3-酮 is C7H12O.
What is the molecular weight of 1-庚烯-3-酮?
The molecular weight of 1-庚烯-3-酮 is 112.09 g/mol.
Where can I buy 1-庚烯-3-酮?
You can request a quote for 1-庚烯-3-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-庚烯-3-酮?
Yes, KEHONG BIO provides custom synthesis services for 1-庚烯-3-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.