![Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate structure](/static/products/4454/445406-03-1.webp)
Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate
TL;DR: Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate (CAS 445406-03-1) is a chemical compound with molecular formula C17H16BrN3O3S and molecular weight 421.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate
Also Known As: AM-879/40736043, isopropyl 4-(3-(5-bromonicotinoyl)thioureido)benzoate, propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate, isopropyl 4-[({[(5-bromopyridin-3-yl)carbonyl]amino}carbonothioyl)amino]benzoate, isopropyl 4-[({[(5-bromopyridin-3-yl)carbonyl]amino}carbothioyl)amino]benzoate
| Molecular Formula | C17H16BrN3O3S |
|---|---|
| Molecular Weight | 421.01 g/mol |
| LogP | 3.5361 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.00958 |
| Heavy Atoms | 25 |
| Complexity | 793.98 |
Chemical Identifiers
| CAS Number | 445406-03-1 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br |
Product Overview
Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate (CAS 445406-03-1), with molecular formula C17H16BrN3O3S and molecular weight 421.01 g/mol. IUPAC: propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate.
Chemical Property Profile of Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate
Property Insights of Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate
The XLogP value of 3.5361 indicates that Propan-2-yl 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 Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Propan-2-yl 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 Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate?
The CAS number of Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate is 445406-03-1.
What is the molecular formula of Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate?
The molecular formula of Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate is C17H16BrN3O3S.
What is the molecular weight of Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate?
The molecular weight of Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate is 421.01 g/mol.
Where can I buy Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate?
You can request a quote for Propan-2-yl 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 Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.