2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin
TL;DR: 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin (CAS 108511-83-7) is a chemical compound with molecular formula C20H26O4 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,6-trimethyl-9,10-dioxatricyclo[6.2.2.01,6]dodecan-3-yl) benzoate
Also Known As: 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin
| Molecular Formula | C20H26O4 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.1831 |
| Heavy Atoms | 24 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 108511-83-7 |
|---|---|
| SMILES | CC1(C(CCC2(C13CCC(C2)OO3)C)OC(=O)C4=CC=CC=C4)C |
| InChIKey | ZGEZBEGUEKLVRK-UHFFFAOYSA-N |
Product Overview
2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin (CAS 108511-83-7), with molecular formula C20H26O4 and molecular weight 330.18 g/mol. IUPAC: (2,2,6-trimethyl-9,10-dioxatricyclo[6.2.2.01,6]dodecan-3-yl) benzoate.
Chemical Property Profile of 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin
Property Insights of 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin
The XLogP value of 4.6 indicates that 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin has 0 hydrogen bond donor(s) and 4 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 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin?
The CAS number of 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin is 108511-83-7.
What is the molecular formula of 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin?
The molecular formula of 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin is C20H26O4.
What is the molecular weight of 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin?
The molecular weight of 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin is 330.18 g/mol.
Where can I buy 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin?
You can request a quote for 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.