2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione
TL;DR: 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione (CAS 33253-68-8) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyanilino)cyclohexa-2,5-diene-1,4-dione
Also Known As: IFLab1_005034, 2-(4-Methoxyphenylamino)-1,4-benzoquinone, 2-p-anisidino-2,5-cyclohexadiene-1,4-dione, J1.199.760K, F1196-0240
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 1.699 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 511.97104 |
Chemical Identifiers
| CAS Number | 33253-68-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=CC(=O)C=CC2=O |
Product Overview
2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione (CAS 33253-68-8), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 2-(4-methoxyanilino)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione
Property Insights of 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione
The XLogP value of 1.699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione has 1 hydrogen bond donor(s) and 4 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-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione is 33253-68-8.
What is the molecular formula of 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione is C13H11NO3.
What is the molecular weight of 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione is 229.07 g/mol.
Where can I buy 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenylamino)cyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.