![(2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol structure](/static/products/6785/67858-64-4.webp)
(2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol
TL;DR: (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol (CAS 67858-64-4) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol
Also Known As: (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol, (3aR,8aS)-2,2-Dimethyl-6-(prop-2-en-1-yl)hexahydro-2H,3aH-4,8-epiminocyclohepta[d][1,3]dioxol-6-ol
| Molecular Formula | C13H21NO3 |
|---|---|
| Molecular Weight | 239.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.15215 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 67858-64-4 |
|---|---|
| SMILES | CC1(O[C@@H]2[C@H](O1)C3CC(CC2N3)(CC=C)O)C |
| InChIKey | JXNKNLLNZIWJON-LPJJKHQPSA-N |
Product Overview
(2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol (CAS 67858-64-4), with molecular formula C13H21NO3 and molecular weight 239.15 g/mol. IUPAC: (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol.
Chemical Property Profile of (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol
Property Insights of (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol. With a topological polar surface area (TPSA) of 50.7 Ų, (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol has 2 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 (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol?
The CAS number of (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol is 67858-64-4.
What is the molecular formula of (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol?
The molecular formula of (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol is C13H21NO3.
What is the molecular weight of (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol?
The molecular weight of (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol is 239.15 g/mol.
Where can I buy (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol?
You can request a quote for (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol?
Yes, KEHONG BIO provides custom synthesis services for (2S,6R)-4,4-dimethyl-9-prop-2-enyl-3,5-dioxa-11-azatricyclo[5.3.1.02,6]undecan-9-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.