2,5-Dichloro-3,6-dimethyl-p-benzoquinone
TL;DR: 2,5-Dichloro-3,6-dimethyl-p-benzoquinone (CAS 46010-98-4) is a chemical compound with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloro-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-Dichloro-3,6-dimethyl-p-benzoquinone, 2,5-diCl-3,6-diMe-p-benzoquinone radical, 2,5-dichloro-3,6-dimethylcyclohexa-2,5-diene-1,4-dione, 2,5-dichloro-3,6-dimethyl-1,4-benzoquinone, 2,5-dichloro-3,6-dimethylbenzo-1,4-quinone
| Molecular Formula | C8H6Cl2O2 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.97449 |
| Heavy Atoms | 12 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 46010-98-4 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)Cl)C)Cl |
| InChIKey | VCJSHLWROQUHPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dichloro-3,6-dimethyl-p-benzoquinone (CAS 46010-98-4), with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol. IUPAC: 2,5-dichloro-3,6-dimethylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Dichloro-3,6-dimethyl-p-benzoquinone
Property Insights of 2,5-Dichloro-3,6-dimethyl-p-benzoquinone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dichloro-3,6-dimethyl-p-benzoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 2,5-Dichloro-3,6-dimethyl-p-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dichloro-3,6-dimethyl-p-benzoquinone 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 2,5-Dichloro-3,6-dimethyl-p-benzoquinone?
The CAS number of 2,5-Dichloro-3,6-dimethyl-p-benzoquinone is 46010-98-4.
What is the molecular formula of 2,5-Dichloro-3,6-dimethyl-p-benzoquinone?
The molecular formula of 2,5-Dichloro-3,6-dimethyl-p-benzoquinone is C8H6Cl2O2.
What is the molecular weight of 2,5-Dichloro-3,6-dimethyl-p-benzoquinone?
The molecular weight of 2,5-Dichloro-3,6-dimethyl-p-benzoquinone is 203.97 g/mol.
Where can I buy 2,5-Dichloro-3,6-dimethyl-p-benzoquinone?
You can request a quote for 2,5-Dichloro-3,6-dimethyl-p-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dichloro-3,6-dimethyl-p-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichloro-3,6-dimethyl-p-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.