4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone
TL;DR: 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone (CAS 37780-09-9) is a chemical compound with molecular formula C14H19ClO2 and molecular weight 254.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-ditert-butyl-3-chlorocyclohexa-3,5-diene-1,2-dione
Also Known As: CHEMBRDG-BB5317249, 4,6-di-tert-butyl-3-chlorobenzo-1,2-quinone, CHEMBRDG-BB 5317249, 3-Chloro-4,6-di-t-butylbenzochinon, 3,5-di-t-butyl-6-chloro-o-benzoquinone
| Molecular Formula | C14H19ClO2 |
|---|---|
| Molecular Weight | 254.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.10736 |
| Heavy Atoms | 17 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 37780-09-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=O)C1=O)Cl)C(C)(C)C |
| InChIKey | ZKRLBHOGMYNZBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone (CAS 37780-09-9), with molecular formula C14H19ClO2 and molecular weight 254.11 g/mol. IUPAC: 4,6-ditert-butyl-3-chlorocyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone
Property Insights of 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone
The XLogP value of 4.1 indicates that 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone 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 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone?
The CAS number of 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone is 37780-09-9.
What is the molecular formula of 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone?
The molecular formula of 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone is C14H19ClO2.
What is the molecular weight of 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone?
The molecular weight of 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone is 254.11 g/mol.
Where can I buy 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone?
You can request a quote for 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Di-tert-butyl-3-chlorobenzo-1,2-quinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.