1,2,3,7,8-PeCDD-13C12
TL;DR: 1,2,3,7,8-PeCDD-13C12 (CAS 109719-79-1) is a chemical compound with molecular formula C12H3Cl5O2 and molecular weight 365.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,7,8-pentachlorodibenzo-p-dioxin
Also Known As: 13C12-PeCDD, 1,2,3,7,8-PeCDD-13C12, 1,2,3,7,8-PENTACHLORODIBENZO-P-DIOXIN, J1.001.941I, 1,2,3,7,8-Pentachlorodibenzo-p-dioxin-13C12
| Molecular Formula | C12H3Cl5O2 |
|---|---|
| Molecular Weight | 365.90 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 365.89783 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 109719-79-1 |
|---|---|
| SMILES | [13CH]1=[13C]2[13C](=[13CH][13C](=[13C]1Cl)Cl)O[13C]3=[13C]([13C](=[13C]([13CH]=[13C]3O2)Cl)Cl)Cl |
| InChIKey | FSPZPQQWDODWAU-WCGVKTIYSA-N |
Product Overview
1,2,3,7,8-PeCDD-13C12 (CAS 109719-79-1), with molecular formula C12H3Cl5O2 and molecular weight 365.90 g/mol. IUPAC: 1,2,3,7,8-pentachlorodibenzo-p-dioxin.
Chemical Property Profile of 1,2,3,7,8-PeCDD-13C12
Property Insights of 1,2,3,7,8-PeCDD-13C12
The XLogP value of 6.6 indicates that 1,2,3,7,8-PeCDD-13C12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,2,3,7,8-PeCDD-13C12 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,7,8-PeCDD-13C12 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 1,2,3,7,8-PeCDD-13C12?
The CAS number of 1,2,3,7,8-PeCDD-13C12 is 109719-79-1.
What is the molecular formula of 1,2,3,7,8-PeCDD-13C12?
The molecular formula of 1,2,3,7,8-PeCDD-13C12 is C12H3Cl5O2.
What is the molecular weight of 1,2,3,7,8-PeCDD-13C12?
The molecular weight of 1,2,3,7,8-PeCDD-13C12 is 365.90 g/mol.
Where can I buy 1,2,3,7,8-PeCDD-13C12?
You can request a quote for 1,2,3,7,8-PeCDD-13C12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,7,8-PeCDD-13C12?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,7,8-PeCDD-13C12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.