![Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate structure](/static/products/6894/6894-55-9.webp)
Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate
TL;DR: Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate (CAS 6894-55-9) is a chemical compound with molecular formula C29H28N2O4S and molecular weight 500.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[3-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfanyl-2,5-dioxopyrrol-1-yl]benzoate
Also Known As: Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate, Propyl 2-{3-(2,3-dimethylanilino)-4-[(4-methylphenyl)sulfanyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl}benzoate, propyl 2-[3-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfanyl-2,5-dioxopyrrol-1-yl]benzoate
| Molecular Formula | C29H28N2O4S |
|---|---|
| Molecular Weight | 500.18 g/mol |
| LogP | 6.16786 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.17697 |
| Heavy Atoms | 36 |
| Complexity | 1361.942 |
Chemical Identifiers
| CAS Number | 6894-55-9 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC=CC(=C4C)C |
Product Overview
Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate (CAS 6894-55-9), with molecular formula C29H28N2O4S and molecular weight 500.18 g/mol. IUPAC: propyl 2-[3-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfanyl-2,5-dioxopyrrol-1-yl]benzoate.
Chemical Property Profile of Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate
Property Insights of Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate
The XLogP value of 6.16786 indicates that Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate?
The CAS number of Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate is 6894-55-9.
What is the molecular formula of Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate?
The molecular formula of Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate is C29H28N2O4S.
What is the molecular weight of Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate?
The molecular weight of Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate is 500.18 g/mol.
Where can I buy Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate?
You can request a quote for Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-[3-[(2,3-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.