![N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide structure](/static/products/4284/428446-14-4.webp)
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide
TL;DR: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide (CAS 428446-14-4) is a chemical compound with molecular formula C21H14IN3O2S and molecular weight 498.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide
Also Known As: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide, N-[(4-benzooxazol-2-ylphenyl)thiocarbamoyl]-3-iodo-benzamide, N-((4-(benzo[d]oxazol-2-yl)phenyl)carbamothioyl)-3-iodobenzamide, N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-iodobenzamide
| Molecular Formula | C21H14IN3O2S |
|---|---|
| Molecular Weight | 498.99 g/mol |
| LogP | 5.2262 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.98514 |
| Heavy Atoms | 28 |
| Complexity | 1138.723 |
Chemical Identifiers
| CAS Number | 428446-14-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I |
Product Overview
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide (CAS 428446-14-4), with molecular formula C21H14IN3O2S and molecular weight 498.99 g/mol. IUPAC: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide.
Chemical Property Profile of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide
Property Insights of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide
The XLogP value of 5.2262 indicates that N-[[4-(1,3-benzoxazol-2-yl)phenyl]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-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide. Following Lipinski's Rule of Five, N-[[4-(1,3-benzoxazol-2-yl)phenyl]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-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide?
The CAS number of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide is 428446-14-4.
What is the molecular formula of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide?
The molecular formula of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide is C21H14IN3O2S.
What is the molecular weight of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide?
The molecular weight of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide is 498.99 g/mol.
Where can I buy N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide?
You can request a quote for N-[[4-(1,3-benzoxazol-2-yl)phenyl]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-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.