愈创蓝油烃
TL;DR: 愈创蓝油烃 (CAS 489-84-9) is a chemical compound with molecular formula C15H18 and molecular weight 198.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
愈创蓝油烃
1,4-dimethyl-7-propan-2-ylazulene
Also Known As: guaiazulene, Vetivazulen, Azulon, Kessazulen, Purazulen
| Molecular Formula | C15H18 |
|---|---|
| Molecular Weight | 198.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.14085 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
| Melting Point | 31.5 °C |
| Boiling Point | 152.00 to 154.00 °C. @ 7.00 mm Hg |
| Solubility | 0.000664 mg/mL at 25 °C |
Chemical Identifiers
| CAS Number | 489-84-9 |
|---|---|
| SMILES | CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C |
| InChIKey | FWKQNCXZGNBPFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
愈创蓝油烃 (CAS 489-84-9), with molecular formula C15H18 and molecular weight 198.14 g/mol. IUPAC: 1,4-dimethyl-7-propan-2-ylazulene.
Chemical Property Profile of 愈创蓝油烃
Property Insights of 愈创蓝油烃
The XLogP value of 4.8 indicates that 癒創薁 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 愈创蓝油烃 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 癒創薁 has 0 hydrogen bond donor(s) and 0 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 癒創薁?
The CAS number of 癒創薁 is 489-84-9.
What is the molecular formula of 癒創薁?
The molecular formula of 癒創薁 is C15H18.
What is the molecular weight of 癒創薁?
The molecular weight of 癒創薁 is 198.14 g/mol.
Where can I buy 癒創薁?
You can request a quote for 癒創薁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 癒創薁?
Yes, KEHONG BIO provides custom synthesis services for 癒創薁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.