2-Anilinocyclohexa-2,5-diene-1,4-dione
TL;DR: 2-Anilinocyclohexa-2,5-diene-1,4-dione (CAS 16085-14-6) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-anilinocyclohexa-2,5-diene-1,4-dione
Also Known As: anilinoquinone, 2-phenylamino-1,4-benzoquinone, 2-Anilino-1,4-benzoquinone, 2-(Phenylamino)-1,4-benzoquinone, 2-anilinocyclohexa-2,5-diene-1,4-dione
Technical Specifications
| Molecular Formula | C12H9NO2 |
| Molecular Weight | 199.06332 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.06332 Da |
| Heavy Atoms | 15 |
| Complexity | 336.0 |
| SMILES | C1=CC=C(C=C1)NC2=CC(=O)C=CC2=O |
| InChIKey | RSRYAYQRBHJYCG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Anilinocyclohexa-2,5-diene-1,4-dione
Property Insights of 2-Anilinocyclohexa-2,5-diene-1,4-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Anilinocyclohexa-2,5-diene-1,4-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 2-Anilinocyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Anilinocyclohexa-2,5-diene-1,4-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Anilinocyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-Anilinocyclohexa-2,5-diene-1,4-dione is 16085-14-6.
What is the molecular formula of 2-Anilinocyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-Anilinocyclohexa-2,5-diene-1,4-dione is C12H9NO2.
What is the molecular weight of 2-Anilinocyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-Anilinocyclohexa-2,5-diene-1,4-dione is 199.06332 g/mol.
Where can I buy 2-Anilinocyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-Anilinocyclohexa-2,5-diene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Anilinocyclohexa-2,5-diene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 2-Anilinocyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.