1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin
TL;DR: 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin (CAS 64461-98-9) is a chemical compound with molecular formula C12H2Cl6O2 and molecular weight 387.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,6,7,9-hexachlorodibenzo-p-dioxin
Also Known As: 1,2,3,6,7,9-HEXACHLORODIBENZO-P-DIOXIN, 1,2,3,6,7,9-HxCDD, 1,2,3,6,7,9-Hexachlorodibenzodioxin, 1,2,3,6,7,9-Hexachlorodibenzo-para-dioxin, Dibenzo-p-dioxin, 1,2,3,6,7,9-hexachloro-
| Molecular Formula | C12H2Cl6O2 |
|---|---|
| Molecular Weight | 387.82 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 389.81564 |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 64461-98-9 |
|---|---|
| SMILES | C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(O2)C(=C(C=C3Cl)Cl)Cl |
| InChIKey | BQOHWGKNRKCEFT-UHFFFAOYSA-N |
Product Overview
1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin (CAS 64461-98-9), with molecular formula C12H2Cl6O2 and molecular weight 387.82 g/mol. IUPAC: 1,2,3,6,7,9-hexachlorodibenzo-p-dioxin.
Chemical Property Profile of 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin
Property Insights of 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin
The XLogP value of 6.9 indicates that 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin 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 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin?
The CAS number of 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin is 64461-98-9.
What is the molecular formula of 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin?
The molecular formula of 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin is C12H2Cl6O2.
What is the molecular weight of 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin?
The molecular weight of 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin is 387.82 g/mol.
Where can I buy 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin?
You can request a quote for 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.