![3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene structure](/static/products/6590/6590-37-0.webp)
3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene
TL;DR: 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene (CAS 6590-37-0) is a chemical compound with molecular formula C11H11Cl3 and molecular weight 247.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,7-trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1(6),2,4-triene
Also Known As: 3,7,7-trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene, 3,7,7-trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1(6),2,4-triene, 3,7,7-Trichlor-2,4,5-trimethyl-bicyclo[4,2,0]octa-1,3,5-trien
| Molecular Formula | C11H11Cl3 |
|---|---|
| Molecular Weight | 247.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.99263 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 6590-37-0 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1C(C2)(Cl)Cl)C)Cl)C |
| InChIKey | CMAKOYVUTJAPNZ-UHFFFAOYSA-N |
Product Overview
3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene (CAS 6590-37-0), with molecular formula C11H11Cl3 and molecular weight 247.99 g/mol. IUPAC: 3,7,7-trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1(6),2,4-triene.
Chemical Property Profile of 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene
Property Insights of 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene. With a topological polar surface area (TPSA) of 0.0 Ų, 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene 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 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene?
The CAS number of 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene is 6590-37-0.
What is the molecular formula of 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene?
The molecular formula of 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene is C11H11Cl3.
What is the molecular weight of 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene?
The molecular weight of 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene is 247.99 g/mol.
Where can I buy 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene?
You can request a quote for 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene?
Yes, KEHONG BIO provides custom synthesis services for 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.