![3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide structure](/static/products/3352/335214-66-9.webp)
3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
TL;DR: 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide (CAS 335214-66-9) is a chemical compound with molecular formula C21H18BrN3O2S and molecular weight 455.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
Also Known As: BAS 02819441, 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide, 3-bromo-4-methoxy-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide, 1-(3-Bromo-4-methoxy-benzoyl)-3-(4-pyridin-4-ylmethyl-phenyl)-thiourea, 3-bromo-4-methoxy-N-((4-(pyridin-4-ylmethyl)phenyl)carbamothioyl)benzamide
| Molecular Formula | C21H18BrN3O2S |
|---|---|
| Molecular Weight | 455.03 g/mol |
| LogP | 4.5703 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.0303 |
| Heavy Atoms | 28 |
| Complexity | 978.7007 |
Chemical Identifiers
| CAS Number | 335214-66-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)Br |
Product Overview
3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide (CAS 335214-66-9), with molecular formula C21H18BrN3O2S and molecular weight 455.03 g/mol. IUPAC: 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
Property Insights of 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
The XLogP value of 4.5703 indicates that 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide has 2 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-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide?
The CAS number of 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide is 335214-66-9.
What is the molecular formula of 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide?
The molecular formula of 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide is C21H18BrN3O2S.
What is the molecular weight of 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide?
The molecular weight of 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide is 455.03 g/mol.
Where can I buy 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide?
You can request a quote for 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]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-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.