2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
TL;DR: 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone (CAS 799808-83-6) is a chemical compound with molecular formula C31H28ClNO2 and molecular weight 481.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(4-chlorophenyl)methyl]-2,5-diphenylpyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone, 2-[1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one, 2-[1-[(4-chlorophenyl)methyl]-2,5-diphenyl-pyrrol-3-yl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one, 2-[1-[(4-chlorophenyl)methyl]-2,5-diphenylpyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
| Molecular Formula | C31H28ClNO2 |
|---|---|
| Molecular Weight | 481.18 g/mol |
| LogP | 8.182 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.18085 |
| Heavy Atoms | 35 |
| Complexity | 1397.8859 |
Chemical Identifiers
| CAS Number | 799808-83-6 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C2=C(N(C(=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl)C5=CC=CC=C5)O)C |
Product Overview
2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone (CAS 799808-83-6), with molecular formula C31H28ClNO2 and molecular weight 481.18 g/mol. IUPAC: 2-[1-[(4-chlorophenyl)methyl]-2,5-diphenylpyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
Property Insights of 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
The XLogP value of 8.182 indicates that 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone has 1 hydrogen bond donor(s) and 2 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-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone?
The CAS number of 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone is 799808-83-6.
What is the molecular formula of 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone?
The molecular formula of 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone is C31H28ClNO2.
What is the molecular weight of 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone?
The molecular weight of 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone is 481.18 g/mol.
Where can I buy 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone?
You can request a quote for 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.