![2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide structure](/static/products/4296/429653-61-2.webp)
2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
TL;DR: 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide (CAS 429653-61-2) is a chemical compound with molecular formula C18H18BrN3OS and molecular weight 403.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
Also Known As: 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide, AB00112029-01, 2-bromo-N-{[4-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide, AN-648/40963356, N-(2-bromobenzoyl)-N'-[4-(1-pyrrolidinyl)phenyl]thiourea
| Molecular Formula | C18H18BrN3OS |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 4.1761 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.0354 |
| Heavy Atoms | 24 |
| Complexity | 742.184 |
Chemical Identifiers
| CAS Number | 429653-61-2 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br |
Product Overview
2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide (CAS 429653-61-2), with molecular formula C18H18BrN3OS and molecular weight 403.04 g/mol. IUPAC: 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide.
Chemical Property Profile of 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
Property Insights of 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
The XLogP value of 4.1761 indicates that 2-bromo-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, 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-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 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The CAS number of 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is 429653-61-2.
What is the molecular formula of 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The molecular formula of 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is C18H18BrN3OS.
What is the molecular weight of 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The molecular weight of 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is 403.04 g/mol.
Where can I buy 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
You can request a quote for 2-bromo-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 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.