4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene
TL;DR: 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene (CAS 106988-87-8) is a chemical compound with molecular formula C14H20 and molecular weight 188.1565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene
Also Known As: 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene, J2.227.652B, Biphenylene, 1,2,3,6,7,8,8a,8b-octahydro-4,5-dimethyl-, Biphenylene, 2,3,4,4a,4b,5,6,7-octahydro-1,8-dimethyl-, 3,12-dimethyltricyclo<6.4.0.02,7>dodeca-2,12-diene
Technical Specifications
| Molecular Formula | C14H20 |
| Molecular Weight | 188.1565 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.1565 Da |
| Heavy Atoms | 14 |
| Complexity | 296.0 |
| SMILES | CC1=C2C(CCC1)C3C2=C(CCC3)C |
| InChIKey | LPONMLCILIVSGA-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene
Property Insights of 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene. With a topological polar surface area (TPSA) of 0.0 Ų, 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene?
The CAS number of 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene is 106988-87-8.
What is the molecular formula of 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene?
The molecular formula of 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene is C14H20.
What is the molecular weight of 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene?
The molecular weight of 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene is 188.1565 g/mol.
Where can I buy 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene?
You can request a quote for 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene?
Yes, CoreyChem provides custom synthesis services for 4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.