2-Dimethylamino-1,4-benzoquinone
TL;DR: 2-Dimethylamino-1,4-benzoquinone (CAS 3958-86-9) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)cyclohexa-2,5-diene-1,4-dione
Also Known As: dimethylaminoquinone, p-Benzoquinone, 2-(dimethylamino)-, Dimethylaminobenzochinon, Neostigmine Impurity 21, 2-Dimethylamino-1,4-benzoquinone
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 3958-86-9 |
|---|---|
| SMILES | CN(C)C1=CC(=O)C=CC1=O |
| InChIKey | IESVMFPPSWMEEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Dimethylamino-1,4-benzoquinone (CAS 3958-86-9), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: 2-(dimethylamino)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-Dimethylamino-1,4-benzoquinone
Property Insights of 2-Dimethylamino-1,4-benzoquinone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Dimethylamino-1,4-benzoquinone. With a topological polar surface area (TPSA) of 37.4 Ų, 2-Dimethylamino-1,4-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dimethylamino-1,4-benzoquinone has 0 hydrogen bond donor(s) and 3 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-Dimethylamino-1,4-benzoquinone?
The CAS number of 2-Dimethylamino-1,4-benzoquinone is 3958-86-9.
What is the molecular formula of 2-Dimethylamino-1,4-benzoquinone?
The molecular formula of 2-Dimethylamino-1,4-benzoquinone is C8H9NO2.
What is the molecular weight of 2-Dimethylamino-1,4-benzoquinone?
The molecular weight of 2-Dimethylamino-1,4-benzoquinone is 151.06 g/mol.
Where can I buy 2-Dimethylamino-1,4-benzoquinone?
You can request a quote for 2-Dimethylamino-1,4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dimethylamino-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Dimethylamino-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.