5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl-
TL;DR: 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl- (CAS 54833-46-4) is a chemical compound with molecular formula C18H28O3 and molecular weight 292.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dihydroxy-4,4,9,11,11-pentamethyltricyclo[7.3.1.02,7]tridec-2(7)-en-6-one
Also Known As: 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl-, 1,3-dihydroxy-4,4,9,11,11-pentamethyltricyclo[7.3.1.02,7]tridec-2(7)-en-6-one, 3,4,5,6,7,8,9,10-Octahydro-4,5-dihydroxy-3,3,7,7,9-pentamethyl-5,9-methanobenzocycloocten-1 -one, 3,4,5,6,7,8,9,10-Octahydro-4,5-dihydroxy-3,3,7,7,9-pentamethyl-5,9-methanobenzocycloocten-1(2H)-one
| Molecular Formula | C18H28O3 |
|---|---|
| Molecular Weight | 292.20 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.20386 |
| Heavy Atoms | 21 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 54833-46-4 |
|---|---|
| SMILES | CC1(CC(=O)C2=C(C1O)C3(CC(CC(C2)(C3)C)(C)C)O)C |
| InChIKey | UYJAVIWFRWPNOX-UHFFFAOYSA-N |
Product Overview
5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl- (CAS 54833-46-4), with molecular formula C18H28O3 and molecular weight 292.20 g/mol. IUPAC: 1,3-dihydroxy-4,4,9,11,11-pentamethyltricyclo[7.3.1.02,7]tridec-2(7)-en-6-one.
Chemical Property Profile of 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl-
Property Insights of 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl-. With a topological polar surface area (TPSA) of 57.5 Ų, 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl- has 2 hydrogen bond donor(s) and 3 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 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl-?
The CAS number of 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl- is 54833-46-4.
What is the molecular formula of 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl-?
The molecular formula of 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl- is C18H28O3.
What is the molecular weight of 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl-?
The molecular weight of 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl- is 292.20 g/mol.
Where can I buy 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl-?
You can request a quote for 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl-?
Yes, KEHONG BIO provides custom synthesis services for 5,9-Methanobenzocycloocten-1(2H)-one, 3,4,5,6,7,8,9,10-octahydro-3,5-dihydroxy-3,3,7,7,9-pentamethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.