4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione
TL;DR: 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione (CAS 6628-39-3) is a chemical compound with molecular formula C14H6Cl6O2 and molecular weight 415.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,5,6,7,8,9a-hexachloro-1,4-dihydroanthracene-9,10-dione
Also Known As: 4a,5,6,7,8,9a-hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione, 4a,5,6,7,8,9a-hexachloro-1,4-dihydroanthracene-9,10-dione, 4a,5,6,7,8,9a-Hexachlor-1,4,4a,9a-tetrahydro-anthracen-9,10-, 4a,5,6,7,8,9a-Hexachlor-1,4,4a,9a-tetrahydro-anthracen-9,10-dion, (4aR,5S,7aR,10S)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H-5,7a-methanocyclopenta(3,4)pyrazolo(1,2-a)(1,2,4)triazole-1,3-dione
| Molecular Formula | C14H6Cl6O2 |
|---|---|
| Molecular Weight | 415.85 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 415.84988 |
| Heavy Atoms | 22 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 6628-39-3 |
|---|---|
| SMILES | C1C=CCC2(C1(C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | BATMELCQLQGSTJ-UHFFFAOYSA-N |
Product Overview
4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione (CAS 6628-39-3), with molecular formula C14H6Cl6O2 and molecular weight 415.85 g/mol. IUPAC: 4a,5,6,7,8,9a-hexachloro-1,4-dihydroanthracene-9,10-dione.
Chemical Property Profile of 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione
Property Insights of 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione
The XLogP value of 5.9 indicates that 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione?
The CAS number of 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione is 6628-39-3.
What is the molecular formula of 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione?
The molecular formula of 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione is C14H6Cl6O2.
What is the molecular weight of 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione?
The molecular weight of 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione is 415.85 g/mol.
Where can I buy 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione?
You can request a quote for 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.