2,6-Dibromoquinone-4-chlorimide
TL;DR: 2,6-Dibromoquinone-4-chlorimide (CAS 537-45-1) is a chemical compound with molecular formula C6H2Br2ClNO and molecular weight 296.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dibromo-4-chloroiminocyclohexa-2,5-dien-1-one
Also Known As: 2,6-Dibromoquinone-4-chloroimide, BQC reagent, 2,6-Dibromo-4-(chloroimino)cyclohexa-2,5-dienone, 2,6-Dibromoquinone-4-chlorimide, potassiumthioacetate
| Molecular Formula | C6H2Br2ClNO |
|---|---|
| Molecular Weight | 296.82 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.8171 |
| Heavy Atoms | 11 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 537-45-1 |
|---|---|
| SMILES | C1=C(C(=O)C(=CC1=NCl)Br)Br |
| InChIKey | JYWKEVKEKOTYEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dibromoquinone-4-chlorimide (CAS 537-45-1), with molecular formula C6H2Br2ClNO and molecular weight 296.82 g/mol. IUPAC: 2,6-dibromo-4-chloroiminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,6-Dibromoquinone-4-chlorimide
Property Insights of 2,6-Dibromoquinone-4-chlorimide
The XLogP value of 3.1 indicates that 2,6-Dibromoquinone-4-chlorimide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 2,6-Dibromoquinone-4-chlorimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dibromoquinone-4-chlorimide 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 2,6-Dibromoquinone-4-chlorimide?
The CAS number of 2,6-Dibromoquinone-4-chlorimide is 537-45-1.
What is the molecular formula of 2,6-Dibromoquinone-4-chlorimide?
The molecular formula of 2,6-Dibromoquinone-4-chlorimide is C6H2Br2ClNO.
What is the molecular weight of 2,6-Dibromoquinone-4-chlorimide?
The molecular weight of 2,6-Dibromoquinone-4-chlorimide is 296.82 g/mol.
Where can I buy 2,6-Dibromoquinone-4-chlorimide?
You can request a quote for 2,6-Dibromoquinone-4-chlorimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dibromoquinone-4-chlorimide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dibromoquinone-4-chlorimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.