![3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea structure](/static/products/4942/494216-95-4.webp)
3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
TL;DR: 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea (CAS 494216-95-4) is a chemical compound with molecular formula C26H29N5O2S and molecular weight 475.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
Also Known As: 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea, N'-(3-methylphenyl)-N-[1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]thiourea, 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]thiourea, N'-(3-METHYLPHENYL)-N-[1-(3-METHYLPHENYL)-2,5-DIOXOTETRAHYDRO-1H-PYRROL-3-YL]-N-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYL]THIOUREA
| Molecular Formula | C26H29N5O2S |
|---|---|
| Molecular Weight | 475.20 g/mol |
| LogP | 4.18488 |
| Topological Polar Surface Area | 70.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.2042 |
| Heavy Atoms | 34 |
| Complexity | 1281.9454 |
Chemical Identifiers
| CAS Number | 494216-95-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N(CC2=C(N(N=C2C)C)C)C3CC(=O)N(C3=O)C4=CC=CC(=C4)C |
Product Overview
3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea (CAS 494216-95-4), with molecular formula C26H29N5O2S and molecular weight 475.20 g/mol. IUPAC: 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea.
Chemical Property Profile of 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
Property Insights of 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
The XLogP value of 4.18488 indicates that 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea. Following Lipinski's Rule of Five, 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea 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 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea?
The CAS number of 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea is 494216-95-4.
What is the molecular formula of 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea?
The molecular formula of 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea is C26H29N5O2S.
What is the molecular weight of 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea?
The molecular weight of 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea is 475.20 g/mol.
Where can I buy 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea?
You can request a quote for 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.