![2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one structure](/static/products/587/587012-47-3.png)
2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one (CAS 587012-47-3) is a chemical compound with molecular formula C31H30N2O2 and molecular weight 462.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-amino-4-methylphenyl)-2,5-diphenylpyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one, 2-(1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone, 2-[1-(2-amino-4-methylphenyl)-2,5-diphenylpyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
| Molecular Formula | C31H30N2O2 |
|---|---|
| Molecular Weight | 462.23 g/mol |
| LogP | 7.36012 |
| Topological Polar Surface Area | 68.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.23074 |
| Heavy Atoms | 35 |
| Complexity | 1444.3488 |
Chemical Identifiers
| CAS Number | 587012-47-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)O)C5=CC=CC=C5)N |
Product Overview
2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one (CAS 587012-47-3), with molecular formula C31H30N2O2 and molecular weight 462.23 g/mol. IUPAC: 2-[1-(2-amino-4-methylphenyl)-2,5-diphenylpyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 7.36012 indicates that 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one. Following Lipinski's Rule of Five, 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one is 587012-47-3.
What is the molecular formula of 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one is C31H30N2O2.
What is the molecular weight of 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one is 462.23 g/mol.
Where can I buy 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-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 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(2-amino-4-methylphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.