![N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide structure](/static/products/676/676154-68-0.png)
N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide
TL;DR: N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide (CAS 676154-68-0) is a chemical compound with molecular formula C25H21ClIN3O2S and molecular weight 589.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-iodobenzamide
Also Known As: N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide, N-({5-[5-(butan-2-yl)-1,3-benzoxazol-2-yl]-2-chlorophenyl}carbamothioyl)-3-iodobenzamide, N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-iodobenzamide, N-[[5-(5-butan-2-ylbenzooxazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]-3-iodo-benzamide
| Molecular Formula | C25H21ClIN3O2S |
|---|---|
| Molecular Weight | 589.01 g/mol |
| LogP | 7.3931 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 589.0088 |
| Heavy Atoms | 33 |
| Complexity | 1354.7471 |
Chemical Identifiers
| CAS Number | 676154-68-0 |
|---|---|
| SMILES | CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC(=CC=C4)I |
Product Overview
N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide (CAS 676154-68-0), with molecular formula C25H21ClIN3O2S and molecular weight 589.01 g/mol. IUPAC: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-iodobenzamide.
Chemical Property Profile of N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide
Property Insights of N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide
The XLogP value of 7.3931 indicates that N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide. Following Lipinski's Rule of Five, N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide has 2 hydrogen bond donor(s) and 4 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-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide?
The CAS number of N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide is 676154-68-0.
What is the molecular formula of N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide?
The molecular formula of N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide is C25H21ClIN3O2S.
What is the molecular weight of N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide?
The molecular weight of N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide is 589.01 g/mol.
Where can I buy N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide?
You can request a quote for N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((5-(5-(sec-butyl)benzo[d]oxazol-2-yl)-2-chlorophenyl)carbamothioyl)-3-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.