环庚酮
TL;DR: 环庚酮 (CAS 502-42-1) 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.
环庚酮
cycloheptanone
Also Known As: CYCLOHEPTANONE, Ketocycloheptane, Suberone, Suberon, Ketoheptamethylene
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
| Boiling Point | 178.5-179.5 @ 760 MM HG |
| Density | 0.9508 @ 20 °C |
| Solubility | INSOL IN WATER; SOL IN ETHER, VERY SOL IN ALCOHOL |
| Refractive Index | 1.4608 @ 20 °C; MAX ABSORPTION (ALCOHOL): 285 NM (LOG E= 1.30) |
Chemical Identifiers
| CAS Number | 502-42-1 |
|---|---|
| SMILES | C1CCCC(=O)CC1 |
| InChIKey | CGZZMOTZOONQIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环庚酮 (CAS 502-42-1), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: cycloheptanone.
Chemical Property Profile of 环庚酮
Property Insights of 环庚酮
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环庚酮. With a topological polar surface area (TPSA) of 17.1 Ų, 环庚酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环庚酮 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 环庚酮?
The CAS number of 环庚酮 is 502-42-1.
What is the molecular formula of 环庚酮?
The molecular formula of 环庚酮 is C7H12O.
What is the molecular weight of 环庚酮?
The molecular weight of 环庚酮 is 112.09 g/mol.
Where can I buy 环庚酮?
You can request a quote for 环庚酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环庚酮?
Yes, KEHONG BIO provides custom synthesis services for 环庚酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.