Gibbs Reagent
TL;DR: Gibbs Reagent (CAS 101-38-2) is a chemical compound with molecular formula C6H2Cl3NO and molecular weight 208.9202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dichloro-4-chloroiminocyclohexa-2,5-dien-1-one
Also Known As: Gibbs reagent, 2,6-Dichloroquinone-4-chloroimide, Gibbs' reagent, 2,6-Dichloro-4-(chloroimino)cyclohexa-2,5-dienone, 2,6-Dichloroquinone chloroimide
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H2Cl3NO |
| Molecular Weight | 208.9202 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.9202 Da |
| Heavy Atoms | 11 |
| Complexity | 266.0 |
| SMILES | C1=C(C(=O)C(=CC1=NCl)Cl)Cl |
| InChIKey | YHUMTHWQGWPJOQ-UHFFFAOYSA-N |
Chemical Property Profile of Gibbs Reagent
Property Insights of Gibbs Reagent
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gibbs Reagent. With a topological polar surface area (TPSA) of 29.4 Ų, Gibbs Reagent exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gibbs Reagent 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
What is the CAS number of Gibbs Reagent?
The CAS number of Gibbs Reagent is 101-38-2.
What is the molecular formula of Gibbs Reagent?
The molecular formula of Gibbs Reagent is C6H2Cl3NO.
What is the molecular weight of Gibbs Reagent?
The molecular weight of Gibbs Reagent is 208.9202 g/mol.
Where can I buy Gibbs Reagent?
You can request a quote for Gibbs Reagent directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gibbs Reagent?
Yes, CoreyChem provides custom synthesis services for Gibbs Reagent and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.