![3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one structure](/static/products/3664/36646-77-2.webp)
3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one
TL;DR: 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one (CAS 36646-77-2) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyanilino)cyclohex-2-en-1-one
Also Known As: 3-[(4-methoxyphenyl)amino]cyclohex-2-en-1-one, 3-(4-methoxyanilino)cyclohex-2-en-1-one, 3-((4-METHOXYPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE, 3-(4-methoxyanilino)-2-cyclohexen-1-one, 3-(4-Methoxyphenylamino)-2-cyclohexen-1-one
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 36646-77-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=CC(=O)CCC2 |
| InChIKey | OMJNZLJMPGAMBL-UHFFFAOYSA-N |
Product Overview
3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one (CAS 36646-77-2), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 3-(4-methoxyanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one
Property Insights of 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 38.3 Ų, 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one 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
Frequently Asked Questions
What is the CAS number of 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one?
The CAS number of 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one is 36646-77-2.
What is the molecular formula of 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one?
The molecular formula of 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one is C13H15NO2.
What is the molecular weight of 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one?
The molecular weight of 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one is 217.11 g/mol.
Where can I buy 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one?
You can request a quote for 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methoxyphenyl)amino]cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.