1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene
TL;DR: 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene (CAS 1786-86-3) is a chemical compound with molecular formula C8H4Cl4N2O2 and molecular weight 299.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5,6-tetrachlorobenzene-1,3-dicarboxamide
Also Known As: 1,3-DICARBAMOYL-2,4,5,6-TETRACHLOROBENZENE, 2,4,5,6-tetrachlorobenzene-1,3-dicarboxamide, Chlorothalonil (TCPN) metabolite, 2,4,5,6-Tetrachloroisophthalamide, tetrachlorobenzene-1,3-dicarboxamide
| Molecular Formula | C8H4Cl4N2O2 |
|---|---|
| Molecular Weight | 299.90 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.89975 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 1786-86-3 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)C(=O)N)Cl)C(=O)N |
| InChIKey | QYJBVOVPBGZPCZ-UHFFFAOYSA-N |
Product Overview
1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene (CAS 1786-86-3), with molecular formula C8H4Cl4N2O2 and molecular weight 299.90 g/mol. IUPAC: 2,4,5,6-tetrachlorobenzene-1,3-dicarboxamide.
Chemical Property Profile of 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene
Property Insights of 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene. Following Lipinski's Rule of Five, 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene has 2 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 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene?
The CAS number of 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene is 1786-86-3.
What is the molecular formula of 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene?
The molecular formula of 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene is C8H4Cl4N2O2.
What is the molecular weight of 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene?
The molecular weight of 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene is 299.90 g/mol.
Where can I buy 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene?
You can request a quote for 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dicarbamoyl-2,4,5,6-tetrachlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.