beta-Cadinene
TL;DR: beta-Cadinene (CAS 523-47-7) is a chemical compound with molecular formula C15H24 and molecular weight 204.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C15H24 |
|---|---|
| Molecular Weight | 204.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.1878 |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
| Boiling Point | 273.9 °C at 760 mmHg ; 148.9 °C at 20 mmHg |
| Density | 0.9239 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | greater than 110.0 °C |
| Refractive Index | 1.5059 AT 20 °C; SPECIFIC OPTICAL ROTATION: -251 DEG AT 20 °C |
Chemical Identifiers
| CAS Number | 523-47-7 |
|---|---|
| SMILES | CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C |
| InChIKey | USDOQCCMRDNVAH-KKUMJFAQSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Cadinene (CAS 523-47-7), with molecular formula C15H24 and molecular weight 204.19 g/mol. IUPAC: (1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene.
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
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 204.19 g/mol.
Where can I buy beta-Cadinene?
You can request a quote for beta-Cadinene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Cadinene?
Yes, KEHONG BIO provides custom synthesis services for beta-Cadinene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.