1,4-Cadinadiene
TL;DR: 1,4-Cadinadiene (CAS 16728-99-7) 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.
1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene
Also Known As: 1,4-Cadinadiene, Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-, 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene, 1,2,3,4,6,8a-Hexahydro-1-isopropyl-4,7-dimethyl-naphthalene, Naphthalene, 1,2,3,4,6,8a-hexahydro-1-isopropyl-4,7-dimethyl-
| Molecular Formula | C15H24 |
|---|---|
| Molecular Weight | 204.19 g/mol |
| LogP | 4.5 |
| 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 |
Chemical Identifiers
| CAS Number | 16728-99-7 |
|---|---|
| SMILES | CC1CCC(C2C1=CCC(=C2)C)C(C)C |
| InChIKey | JUQGWBAOQUBVFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Cadinadiene (CAS 16728-99-7), with molecular formula C15H24 and molecular weight 204.19 g/mol. IUPAC: 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene.
Chemical Property Profile of 1,4-Cadinadiene
Property Insights of 1,4-Cadinadiene
The XLogP value of 4.5 indicates that 1,4-Cadinadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Cadinadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cadinadiene 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 1,4-Cadinadiene?
The CAS number of 1,4-Cadinadiene is 16728-99-7.
What is the molecular formula of 1,4-Cadinadiene?
The molecular formula of 1,4-Cadinadiene is C15H24.
What is the molecular weight of 1,4-Cadinadiene?
The molecular weight of 1,4-Cadinadiene is 204.19 g/mol.
Where can I buy 1,4-Cadinadiene?
You can request a quote for 1,4-Cadinadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Cadinadiene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cadinadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.