石竹烯
TL;DR: 石竹烯 (CAS 87-44-5) 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.
石竹烯
(1R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Also Known As: Caryophyllene, Isocaryophyllene, BETA-CARYOPHYLLENE, (-)-ISOCARYOPHYLLENE, perfluorobutanesulfonylfluoride
| Molecular Formula | C15H24 |
|---|---|
| Molecular Weight | 204.19 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.1878 |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 87-44-5 |
|---|---|
| SMILES | CC1=CCCC(=C)[C@H]2CC([C@@H]2CC1)(C)C |
| InChIKey | NPNUFJAVOOONJE-ZIAGYGMSSA-N |
Product Overview
石竹烯 (CAS 87-44-5), with molecular formula C15H24 and molecular weight 204.19 g/mol. IUPAC: (1R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene.
Chemical Property Profile of 石竹烯
Property Insights of 石竹烯
The XLogP value of 4.4 indicates that 石竹烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 石竹烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 石竹烯 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 石竹烯?
The CAS number of 石竹烯 is 87-44-5.
What is the molecular formula of 石竹烯?
The molecular formula of 石竹烯 is C15H24.
What is the molecular weight of 石竹烯?
The molecular weight of 石竹烯 is 204.19 g/mol.
Where can I buy 石竹烯?
You can request a quote for 石竹烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 石竹烯?
Yes, KEHONG BIO provides custom synthesis services for 石竹烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.