![N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide structure](/static/products/835/835888-50-1.png)
N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
TL;DR: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide (CAS 835888-50-1) is a chemical compound with molecular formula C17H15BrN4O2S and molecular weight 418.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
Also Known As: AP-970/43337285, N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide, N-{[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide, N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-N'-butyrylthiourea
| Molecular Formula | C17H15BrN4O2S |
|---|---|
| Molecular Weight | 418.01 g/mol |
| LogP | 4.2654 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.00992 |
| Heavy Atoms | 25 |
| Complexity | 941.2975 |
Chemical Identifiers
| CAS Number | 835888-50-1 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=CN=C3)Br |
Product Overview
N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide (CAS 835888-50-1), with molecular formula C17H15BrN4O2S and molecular weight 418.01 g/mol. IUPAC: N-[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide.
Chemical Property Profile of N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
Property Insights of N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
The XLogP value of 4.2654 indicates that N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide. Following Lipinski's Rule of Five, N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide 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 N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide?
The CAS number of N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide is 835888-50-1.
What is the molecular formula of N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide?
The molecular formula of N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide is C17H15BrN4O2S.
What is the molecular weight of N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide?
The molecular weight of N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide is 418.01 g/mol.
Where can I buy N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide?
You can request a quote for N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.