1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene
TL;DR: 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene (CAS 7641-77-2) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene
Also Known As: Hexamethyldewarbenzene, Hexamethyl Dewar benzene, Dewar benzene, hexamethyl-, HexamethylDewar benzene, hexamethyl-dewar-benzene
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 7641-77-2 |
|---|---|
| SMILES | CC1=C(C2(C1(C(=C2C)C)C)C)C |
| InChIKey | RVNQQZMIWZPGNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene (CAS 7641-77-2), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene.
Chemical Property Profile of 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene
Property Insights of 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene 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
Frequently Asked Questions
What is the CAS number of 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene?
The CAS number of 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene is 7641-77-2.
What is the molecular formula of 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene?
The molecular formula of 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene is C12H18.
What is the molecular weight of 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene?
The molecular weight of 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene is 162.14 g/mol.
Where can I buy 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene?
You can request a quote for 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.