![(1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane structure](/static/products/121/1219031-13-6.webp)
(1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
TL;DR: (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane (CAS 1219031-13-6) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2S,4S,5R,6S)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
Also Known As: (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
Technical Specifications
| Molecular Formula | C13H14O4 |
| Molecular Weight | 234.0892 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0892 Da |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
| SMILES | C1[C@H]2[C@H]([C@H]3[C@H](O3)[C@@H](O1)O2)OCC4=CC=CC=C4 |
| InChIKey | YVZYNXNBLFZJNU-PPCPHDFISA-N |
Chemical Property Profile of (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
Property Insights of (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane. With a topological polar surface area (TPSA) of 40.2 Ų, (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane 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
What is the CAS number of (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane?
The CAS number of (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane is 1219031-13-6.
What is the molecular formula of (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane?
The molecular formula of (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane is C13H14O4.
What is the molecular weight of (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane?
The molecular weight of (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane is 234.0892 g/mol.
Where can I buy (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane?
You can request a quote for (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane?
Yes, CoreyChem provides custom synthesis services for (1S,2S,4S,5R,6S)-5-(Benzyloxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.