![Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate structure](/static/products/4296/429654-58-0.webp)
Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate (CAS 429654-58-0) is a chemical compound with molecular formula C14H17BrN4O3S and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate
Also Known As: AN-465/40743465, ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate, ethyl 4-((5-bromonicotinoyl)carbamothioyl)piperazine-1-carboxylate, ethyl 4-({[(5-bromo-3-pyridinyl)carbonyl]amino}carbothioyl)-1-piperazinecarboxylate, ETHYL 4-{[(5-BROMOPYRIDIN-3-YL)FORMAMIDO]METHANETHIOYL}PIPERAZINE-1-CARBOXYLATE
| Molecular Formula | C14H17BrN4O3S |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 1.6329 |
| Topological Polar Surface Area | 74.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.02048 |
| Heavy Atoms | 23 |
| Complexity | 605.4401 |
Chemical Identifiers
| CAS Number | 429654-58-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC(=CN=C2)Br |
Product Overview
Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate (CAS 429654-58-0), with molecular formula C14H17BrN4O3S and molecular weight 400.02 g/mol. IUPAC: ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate
The XLogP value of 1.6329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate. The TPSA of 74.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate has 1 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 Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate is 429654-58-0.
What is the molecular formula of Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate is C14H17BrN4O3S.
What is the molecular weight of Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate is 400.02 g/mol.
Where can I buy Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.