香芹酚
TL;DR: 香芹酚 (CAS 499-75-2) 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.
香芹酚
2-methyl-5-propan-2-ylphenol
Also Known As: CARVACROL, 5-Isopropyl-2-methylphenol, Antioxine, Isothymol, Isopropyl-o-cresol
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 120.0 |
| Melting Point | 1 °C |
| Boiling Point | 237-238 °C @ 760 MM HG |
| Density | 0.976 @ 20 °C |
| Solubility | SLIGHTLY SOL IN WATER; SOL IN ETHANOL, ETHER, ALKALIS; VERY SOLUBLE IN ACETONE |
| Flash Point | 100 °C |
| Refractive Index | 1.5230 @ 20 °C; MAX ABSORPTION (ALCOHOL): 277.5 NM (LOG E= 3.26); SADTLER REFERENCE NUMBER: 2470 (IR, PRISM) |
Chemical Identifiers
| CAS Number | 499-75-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)C)O |
| InChIKey | RECUKUPTGUEGMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
香芹酚 (CAS 499-75-2), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 2-methyl-5-propan-2-ylphenol.
Chemical Property Profile of 香芹酚
Property Insights of 香芹酚
The XLogP value of 3.1 indicates that 香芹酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 香芹酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 香芹酚 has 1 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 香芹酚?
The CAS number of 香芹酚 is 499-75-2.
What is the molecular formula of 香芹酚?
The molecular formula of 香芹酚 is C10H14O.
What is the molecular weight of 香芹酚?
The molecular weight of 香芹酚 is 150.10 g/mol.
Where can I buy 香芹酚?
You can request a quote for 香芹酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香芹酚?
Yes, KEHONG BIO provides custom synthesis services for 香芹酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.