![N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide structure](/static/products/530/530130-67-7.png)
N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide
TL;DR: N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide (CAS 530130-67-7) is a chemical compound with molecular formula C21H13BrClN3O3S and molecular weight 500.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chlorobenzamide
Also Known As: N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide, N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-2-chlorobenzamide, N-[[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-2-chlorobenzamide
| Molecular Formula | C21H13BrClN3O3S |
|---|---|
| Molecular Weight | 500.95 g/mol |
| LogP | 5.7431 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 500.95496 |
| Heavy Atoms | 30 |
| Complexity | 1291.7281 |
Chemical Identifiers
| CAS Number | 530130-67-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)O)Br)Cl |
Product Overview
N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide (CAS 530130-67-7), with molecular formula C21H13BrClN3O3S and molecular weight 500.95 g/mol. IUPAC: N-[[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chlorobenzamide.
Chemical Property Profile of N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide
Property Insights of N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide
The XLogP value of 5.7431 indicates that N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide. Following Lipinski's Rule of Five, N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide has 3 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-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide?
The CAS number of N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide is 530130-67-7.
What is the molecular formula of N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide?
The molecular formula of N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide is C21H13BrClN3O3S.
What is the molecular weight of N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide?
The molecular weight of N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide is 500.95 g/mol.
Where can I buy N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide?
You can request a quote for N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.