海胆烯酮
TL;DR: 海胆烯酮 (CAS 432-68-8) is a chemical compound with molecular formula C40H54O and molecular weight 550.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
海胆烯酮
2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
Also Known As: Echinenone, 2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
| Molecular Formula | C40H54O |
|---|---|
| Molecular Weight | 550.42 g/mol |
| LogP | 12.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 10 |
| Exact Mass | 550.4175 |
| Heavy Atoms | 41 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 432-68-8 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C |
| InChIKey | QXNWZXMBUKUYMD-UHFFFAOYSA-N |
Product Overview
海胆烯酮 (CAS 432-68-8), with molecular formula C40H54O and molecular weight 550.42 g/mol. IUPAC: 2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one.
Chemical Property Profile of 海胆烯酮
Property Insights of 海胆烯酮
The XLogP value of 12.5 indicates that 海胆烯酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 海胆烯酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 海胆烯酮 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 海胆烯酮?
The CAS number of 海胆烯酮 is 432-68-8.
What is the molecular formula of 海胆烯酮?
The molecular formula of 海胆烯酮 is C40H54O.
What is the molecular weight of 海胆烯酮?
The molecular weight of 海胆烯酮 is 550.42 g/mol.
Where can I buy 海胆烯酮?
You can request a quote for 海胆烯酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 海胆烯酮?
Yes, KEHONG BIO provides custom synthesis services for 海胆烯酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.