![(S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile structure](/static/products/121/1214788-42-7.webp)
(S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
TL;DR: (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile (CAS 1214788-42-7) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Also Known As: (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, H64938
Technical Specifications
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.07898 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.07898 Da |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
| SMILES | COC1=C(C=C2[C@H](CC2=C1)C#N)OC |
| InChIKey | HJTHVTHXHHFXMJ-MRVPVSSYSA-N |
Chemical Property Profile of (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Property Insights of (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
The CAS number of (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is 1214788-42-7.
What is the molecular formula of (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
The molecular formula of (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is C11H11NO2.
What is the molecular weight of (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
The molecular weight of (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is 189.07898 g/mol.
Where can I buy (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
You can request a quote for (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
Yes, CoreyChem provides custom synthesis services for (S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.