![2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide structure](/static/products/6977/6977-70-4.webp)
2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
TL;DR: 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide (CAS 6977-70-4) is a chemical compound with molecular formula C21H25N3O4S2 and molecular weight 447.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
Also Known As: 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide, 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)thiocarbamoyl]acetamide, 2-(2,5-Dimethylphenoxy)-N-{[4-(pyrrolidine-1-sulfonyl)phenyl]carbamothioyl}acetamide
| Molecular Formula | C21H25N3O4S2 |
|---|---|
| Molecular Weight | 447.13 g/mol |
| LogP | 2.97994 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.12866 |
| Heavy Atoms | 30 |
| Complexity | 1030.717 |
Chemical Identifiers
| CAS Number | 6977-70-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 |
Product Overview
2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide (CAS 6977-70-4), with molecular formula C21H25N3O4S2 and molecular weight 447.13 g/mol. IUPAC: 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide.
Chemical Property Profile of 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
Property Insights of 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
The XLogP value of 2.97994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide. Following Lipinski's Rule of Five, 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide has 2 hydrogen bond donor(s) and 5 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 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide?
The CAS number of 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide is 6977-70-4.
What is the molecular formula of 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide?
The molecular formula of 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide is C21H25N3O4S2.
What is the molecular weight of 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide?
The molecular weight of 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide is 447.13 g/mol.
Where can I buy 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide?
You can request a quote for 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.