![Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate structure](/static/products/4304/430443-93-9.webp)
Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate
TL;DR: Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate (CAS 430443-93-9) is a chemical compound with molecular formula C18H18BrN3O3S and molecular weight 435.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate
Also Known As: AM-879/40736031, butyl 4-(3-(5-bromonicotinoyl)thioureido)benzoate, butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate, butyl 4-[({[(5-bromopyridin-3-yl)carbonyl]amino}carbothioyl)amino]benzoate
| Molecular Formula | C18H18BrN3O3S |
|---|---|
| Molecular Weight | 435.03 g/mol |
| LogP | 3.9278 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.02524 |
| Heavy Atoms | 26 |
| Complexity | 796.52325 |
Chemical Identifiers
| CAS Number | 430443-93-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br |
Product Overview
Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate (CAS 430443-93-9), with molecular formula C18H18BrN3O3S and molecular weight 435.03 g/mol. IUPAC: butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate.
Chemical Property Profile of Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate
Property Insights of Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate
The XLogP value of 3.9278 indicates that Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate 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 Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate?
The CAS number of Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate is 430443-93-9.
What is the molecular formula of Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate?
The molecular formula of Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate is C18H18BrN3O3S.
What is the molecular weight of Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate?
The molecular weight of Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate is 435.03 g/mol.
Where can I buy Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate?
You can request a quote for Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.