5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine
TL;DR: 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine (CAS 3734-72-3) is a chemical compound with molecular formula C10H6Cl6N2 and molecular weight 363.87 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-diazatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
Also Known As: Azoaldrin, AI3-25581, 1,4,4a,5,8,8a-Hexahydro-5,6,7,8,9,9-hexachloro-1,4:5,8-dimethanophthalazine, 1,4:5,8-DIMETHANOPHTHALAZINE, 1,4,4a,5,8,8a-HEXAHYDRO-5,6,7,8,9,9-HEXACHLORO-, 1,4:5,8-Dimethanophthalazine, 5,6,7,8,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-
| Molecular Formula | C10H6Cl6N2 |
|---|---|
| Molecular Weight | 363.87 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 365.86325 |
| Heavy Atoms | 18 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 3734-72-3 |
|---|---|
| SMILES | C1C2C3C(C1N=N2)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | FYISZJZMDZHFEQ-UHFFFAOYSA-N |
Product Overview
5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine (CAS 3734-72-3), with molecular formula C10H6Cl6N2 and molecular weight 363.87 g/mol. IUPAC: 1,8,9,10,11,11-hexachloro-4,5-diazatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene.
Chemical Property Profile of 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine
Property Insights of 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine
The XLogP value of 3.5 indicates that 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.7 Ų, 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine has 0 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-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine?
The CAS number of 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine is 3734-72-3.
What is the molecular formula of 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine?
The molecular formula of 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine is C10H6Cl6N2.
What is the molecular weight of 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine?
The molecular weight of 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine is 363.87 g/mol.
Where can I buy 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine?
You can request a quote for 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine 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-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.