4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
TL;DR: 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione (CAS 6036-64-2) is a chemical compound with molecular formula C14H13Cl6NO2 and molecular weight 436.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7,8,9,10,10-hexachloro-4-pentyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
| Molecular Formula | C14H13Cl6NO2 |
|---|---|
| Molecular Weight | 436.91 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.90775 |
| Heavy Atoms | 23 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 6036-64-2 |
|---|---|
| SMILES | CCCCCN1C(=O)C2C(C1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | ITTMUAGSVCCSDQ-UHFFFAOYSA-N |
Product Overview
4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione (CAS 6036-64-2), with molecular formula C14H13Cl6NO2 and molecular weight 436.91 g/mol. IUPAC: 1,7,8,9,10,10-hexachloro-4-pentyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
Property Insights of 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
The XLogP value of 3.8 indicates that 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione 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 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione?
The CAS number of 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione is 6036-64-2.
What is the molecular formula of 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione?
The molecular formula of 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione is C14H13Cl6NO2.
What is the molecular weight of 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione?
The molecular weight of 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione is 436.91 g/mol.
Where can I buy 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione?
You can request a quote for 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.