![3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide structure](/static/products/4284/428457-65-2.webp)
3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
TL;DR: 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide (CAS 428457-65-2) is a chemical compound with molecular formula C22H16BrN3O3S and molecular weight 481.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
Also Known As: 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide, 3-bromo-4-methoxy-N-[(2-phenylbenzooxazol-5-yl)thiocarbamoyl]benzamide
| Molecular Formula | C22H16BrN3O3S |
|---|---|
| Molecular Weight | 481.01 g/mol |
| LogP | 5.3927 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 481.00958 |
| Heavy Atoms | 30 |
| Complexity | 1241.1053 |
Chemical Identifiers
| CAS Number | 428457-65-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4)Br |
Product Overview
3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide (CAS 428457-65-2), with molecular formula C22H16BrN3O3S and molecular weight 481.01 g/mol. IUPAC: 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
Property Insights of 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
The XLogP value of 5.3927 indicates that 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
The CAS number of 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide is 428457-65-2.
What is the molecular formula of 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
The molecular formula of 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide is C22H16BrN3O3S.
What is the molecular weight of 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
The molecular weight of 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide is 481.01 g/mol.
Where can I buy 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
You can request a quote for 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)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-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.