香芹酮
TL;DR: 香芹酮 (CAS 99-49-0) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
香芹酮
2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
Also Known As: CARVONE, Carvol, Karvon, dl-Carvone, d-Carvone
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 223.0 |
| Melting Point | MP: 25.2 °C. Very soluble in ethanol; soluble in ether, carbon tetrachloride, chloroform /L-Carvone/ |
| Boiling Point | 230-231 °C |
| Solubility | Colorless to pale straw colored liquid; spearmint odor; solubility in 70% alcohol: 1:2 /L-Carvone/ |
| Vapor Pressure | 0.16 [mmHg] |
| Refractive Index | = 1.5003 at 20 °C |
Chemical Identifiers
| CAS Number | 99-49-0 |
|---|---|
| SMILES | CC1=CCC(CC1=O)C(=C)C |
| InChIKey | ULDHMXUKGWMISQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
香芹酮 (CAS 99-49-0), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.
Chemical Property Profile of 香芹酮
Property Insights of 香芹酮
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 香芹酮. With a topological polar surface area (TPSA) of 17.1 Ų, 香芹酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 香芹酮 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 香芹酮?
The CAS number of 香芹酮 is 99-49-0.
What is the molecular formula of 香芹酮?
The molecular formula of 香芹酮 is C10H14O.
What is the molecular weight of 香芹酮?
The molecular weight of 香芹酮 is 150.10 g/mol.
Where can I buy 香芹酮?
You can request a quote for 香芹酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香芹酮?
Yes, KEHONG BIO provides custom synthesis services for 香芹酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.