![N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide structure](/static/products/4284/428463-30-3.webp)
N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide
TL;DR: N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide (CAS 428463-30-3) is a chemical compound with molecular formula C23H18BrN3O3S and molecular weight 495.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide
Also Known As: N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide, N-{[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-5-bromo-2-methoxybenzamide, N-[(5-benzooxazol-2-yl-2-methyl-phenyl)thiocarbamoyl]-5-bromo-2-methoxy-benzamide
| Molecular Formula | C23H18BrN3O3S |
|---|---|
| Molecular Weight | 495.03 g/mol |
| LogP | 5.70112 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.02524 |
| Heavy Atoms | 31 |
| Complexity | 1269.4713 |
Chemical Identifiers
| CAS Number | 428463-30-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)OC |
Product Overview
N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide (CAS 428463-30-3), with molecular formula C23H18BrN3O3S and molecular weight 495.03 g/mol. IUPAC: N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide.
Chemical Property Profile of N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide
Property Insights of N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide
The XLogP value of 5.70112 indicates that N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide 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 N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide. Following Lipinski's Rule of Five, N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide 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 N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide?
The CAS number of N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide is 428463-30-3.
What is the molecular formula of N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide?
The molecular formula of N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide is C23H18BrN3O3S.
What is the molecular weight of N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide?
The molecular weight of N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide is 495.03 g/mol.
Where can I buy N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide?
You can request a quote for N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.