![3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide structure](/static/products/4319/431978-37-9.webp)
3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
TL;DR: 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide (CAS 431978-37-9) is a chemical compound with molecular formula C18H17BrClN3OS and molecular weight 437.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
Also Known As: 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide, 3-bromo-N-{[3-chloro-4-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide, 3-bromo-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)thiocarbamoyl]benzamide
| Molecular Formula | C18H17BrClN3OS |
|---|---|
| Molecular Weight | 437.00 g/mol |
| LogP | 4.8295 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.99643 |
| Heavy Atoms | 25 |
| Complexity | 808.6582 |
Chemical Identifiers
| CAS Number | 431978-37-9 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br)Cl |
Product Overview
3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide (CAS 431978-37-9), with molecular formula C18H17BrClN3OS and molecular weight 437.00 g/mol. IUPAC: 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
Property Insights of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
The XLogP value of 4.8295 indicates that 3-bromo-N-[(3-chloro-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, 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-[(3-chloro-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 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The CAS number of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is 431978-37-9.
What is the molecular formula of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The molecular formula of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is C18H17BrClN3OS.
What is the molecular weight of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The molecular weight of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is 437.00 g/mol.
Where can I buy 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
You can request a quote for 3-bromo-N-[(3-chloro-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 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.