(5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile
TL;DR: (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile (CAS 141077-78-3) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile
Also Known As: NCI60_023293, J2.089.022C, (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile, (5R)-2,2-Dimethyl-6alpha-hydroxy-1,3-dioxepane-5beta-carbonitrile, 1,3-Dioxepane-5-carbonitrile, 6-hydroxy-2,2-dimethyl-, trans-
Technical Specifications
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.08954 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 62.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.08954 Da |
| Heavy Atoms | 12 |
| Complexity | 206.0 |
| SMILES | CC1(OC[C@H]([C@@H](CO1)O)C#N)C |
| InChIKey | XEUJWYSNNKRFIW-RNFRBKRXSA-N |
Chemical Property Profile of (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile
Property Insights of (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile. Following Lipinski's Rule of Five, (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile has 1 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 (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile?
The CAS number of (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile is 141077-78-3.
What is the molecular formula of (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile?
The molecular formula of (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile is C8H13NO3.
What is the molecular weight of (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile?
The molecular weight of (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile is 171.08954 g/mol.
Where can I buy (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile?
You can request a quote for (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for (5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepane-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.