甲基环戊二酮
TL;DR: 甲基环戊二酮 (CAS 80-71-7) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基环戊二酮
2-hydroxy-3-methylcyclopent-2-en-1-one
Also Known As: Cyclotene, Corylone, 2-Hydroxy-3-methylcyclopent-2-enone, Corylon, Maple lactone
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 156.0 |
| Solubility | soluble in alcohol and propylene glycol; slightly soluble in most fixed oils and 1 g in 72 ml water |
Chemical Identifiers
| CAS Number | 80-71-7 |
|---|---|
| SMILES | CC1=C(C(=O)CC1)O |
| InChIKey | CFAKWWQIUFSQFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基环戊二酮 (CAS 80-71-7), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: 2-hydroxy-3-methylcyclopent-2-en-1-one.
Chemical Property Profile of 甲基环戊二酮
Property Insights of 甲基环戊二酮
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基环戊二酮. With a topological polar surface area (TPSA) of 37.3 Ų, 甲基环戊二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基环戊二酮 has 1 hydrogen bond donor(s) and 2 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 甲基环戊二酮?
The CAS number of 甲基环戊二酮 is 80-71-7.
What is the molecular formula of 甲基环戊二酮?
The molecular formula of 甲基环戊二酮 is C6H8O2.
What is the molecular weight of 甲基环戊二酮?
The molecular weight of 甲基环戊二酮 is 112.05 g/mol.
Where can I buy 甲基环戊二酮?
You can request a quote for 甲基环戊二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基环戊二酮?
Yes, KEHONG BIO provides custom synthesis services for 甲基环戊二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.