![4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide structure](/static/products/4296/429643-35-6.webp)
4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
TL;DR: 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide (CAS 429643-35-6) is a chemical compound with molecular formula C22H27N3OS and molecular weight 381.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
Also Known As: 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide, 4-tert-butyl-N-{[4-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide
| Molecular Formula | C22H27N3OS |
|---|---|
| Molecular Weight | 381.19 g/mol |
| LogP | 4.7111 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.18747 |
| Heavy Atoms | 27 |
| Complexity | 800.9467 |
Chemical Identifiers
| CAS Number | 429643-35-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3 |
Product Overview
4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide (CAS 429643-35-6), with molecular formula C22H27N3OS and molecular weight 381.19 g/mol. IUPAC: 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
Property Insights of 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
The XLogP value of 4.7111 indicates that 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 3 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 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The CAS number of 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is 429643-35-6.
What is the molecular formula of 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The molecular formula of 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is C22H27N3OS.
What is the molecular weight of 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The molecular weight of 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is 381.19 g/mol.
Where can I buy 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
You can request a quote for 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.