5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione
TL;DR: 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione (CAS 38667-89-9) is a chemical compound with molecular formula C9H4Cl6N2O2 and molecular weight 381.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8,9,10,11,11-hexachloro-4,5-diazatricyclo[6.2.1.02,7]undec-9-ene-3,6-dione
Also Known As: 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione, 1,8,9,10,11,11-hexachloro-4,5-diazatricyclo[6.2.1.0<2,7>]undec-9-ene-3,6-dione
| Molecular Formula | C9H4Cl6N2O2 |
|---|---|
| Molecular Weight | 381.84 g/mol |
| LogP | 2.2253 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 381.8404 |
| Heavy Atoms | 19 |
| Complexity | 516.9131 |
Chemical Identifiers
| CAS Number | 38667-89-9 |
|---|---|
| SMILES | C12C(C(=O)NNC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl |
Product Overview
5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione (CAS 38667-89-9), with molecular formula C9H4Cl6N2O2 and molecular weight 381.84 g/mol. IUPAC: 1,8,9,10,11,11-hexachloro-4,5-diazatricyclo[6.2.1.02,7]undec-9-ene-3,6-dione.
Chemical Property Profile of 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione
Property Insights of 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione
The XLogP value of 2.2253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione has 2 hydrogen bond donor(s) and 2 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 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione?
The CAS number of 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione is 38667-89-9.
What is the molecular formula of 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione?
The molecular formula of 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione is C9H4Cl6N2O2.
What is the molecular weight of 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione?
The molecular weight of 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione is 381.84 g/mol.
Where can I buy 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione?
You can request a quote for 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8,9,9-Hexachloro-2,3,4a,5,8,8a-hexahydro-5,8-methanophthalazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.