Gibbs Reagent
TL;DR: Gibbs Reagent (CAS 101-38-2) is a chemical compound with molecular formula C6H2Cl3NO and molecular weight 208.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C6H2Cl3NO |
|---|---|
| Molecular Weight | 208.92 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.9202 |
| Heavy Atoms | 11 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 101-38-2 |
|---|---|
| SMILES | C1=C(C(=O)C(=CC1=NCl)Cl)Cl |
| InChIKey | YHUMTHWQGWPJOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gibbs Reagent (CAS 101-38-2), with molecular formula C6H2Cl3NO and molecular weight 208.92 g/mol. IUPAC: 2,6-dichloro-4-chloroiminocyclohexa-2,5-dien-1-one.
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
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 208.92 g/mol.
Where can I buy Gibbs Reagent?
You can request a quote for Gibbs Reagent directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gibbs Reagent?
Yes, KEHONG BIO provides custom synthesis services for Gibbs Reagent and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.