beta-Cadinene
TL;DR: beta-Cadinene (CAS 523-47-7) is a chemical compound with molecular formula C15H24 and molecular weight 204.1878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
Also Known As: BETA-CADINENE, Cadina-3,9-diene, Cadine-3,9-diene, (-)-beta-Cadinene, .beta.-Cadinene
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H24 |
| Molecular Weight | 204.1878 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.1878 Da |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
| Boiling Point | 525 °F at 760 mmHg ; 300 °F at 20 mmHg (NTP, 1992) |
| Density | 0.9239 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | greater than 230 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.5059 AT 20 °C/D; SPECIFIC OPTICAL ROTATION: -251 DEG AT 20 °C/D |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C |
| InChIKey | USDOQCCMRDNVAH-KKUMJFAQSA-N |
Product Description
Applications: beta-Cadinene is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
beta-Cadinene is a pharmaceutical intermediate identified by CAS number 523-47-7 and the molecular formula C15H24 and a molecular weight of 204.19 g/mol. Physically, the compound has a density of 0.9239 at 68 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: less than 0.1 mg/mL at 64 °F (NTP, 1992). Synonyms include BETA-CADINENE and Cadina-3,9-diene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of beta-Cadinene
Property Insights of beta-Cadinene
The XLogP value of 4.0 indicates that beta-Cadinene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, beta-Cadinene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Cadinene 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
What is the CAS number of beta-Cadinene?
The CAS number of beta-Cadinene is 523-47-7.
What is the molecular formula of beta-Cadinene?
The molecular formula of beta-Cadinene is C15H24.
What is the molecular weight of beta-Cadinene?
The molecular weight of beta-Cadinene is 204.1878 g/mol.
What are the applications of beta-Cadinene?
beta-Cadinene is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to...
Where can I buy beta-Cadinene?
You can request a quote for beta-Cadinene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Cadinene?
Yes, CoreyChem provides custom synthesis services for beta-Cadinene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.