3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl-
TL;DR: 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl- (CAS 108511-85-9) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 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-ol
Also Known As: 2-Hydroxy-1,1,10-trimethyl-6,9-epidioxydecalin, 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl-, 5,5,8a-Trimethyloctahydro-2H-2,4a-epidioxynaphthalen-6-ol, RefChem:283063
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 108511-85-9 |
|---|---|
| SMILES | CC1(C(CCC2(C13CCC(C2)OO3)C)O)C |
| InChIKey | LYOJMOXGTZZPFW-UHFFFAOYSA-N |
Product Overview
3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl- (CAS 108511-85-9), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: 2,2,6-trimethyl-9,10-dioxatricyclo[6.2.2.01,6]dodecan-3-ol.
Chemical Property Profile of 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl-
Property Insights of 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl-. With a topological polar surface area (TPSA) of 38.7 Ų, 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl- has 1 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 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl-?
The CAS number of 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl- is 108511-85-9.
What is the molecular formula of 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl-?
The molecular formula of 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl- is C13H22O3.
What is the molecular weight of 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl-?
The molecular weight of 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl- is 226.16 g/mol.
Where can I buy 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl-?
You can request a quote for 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.