![3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide structure](/static/products/4284/428451-90-5.webp)
3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
TL;DR: 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide (CAS 428451-90-5) 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.
3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
Also Known As: 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide, 3-iodo-N-[(2-phenylbenzooxazol-5-yl)thiocarbamoyl]benzamide
| 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 | 1174.723 |
Chemical Identifiers
| CAS Number | 428451-90-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I |
Product Overview
3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide (CAS 428451-90-5), with molecular formula C21H14IN3O2S and molecular weight 498.99 g/mol. IUPAC: 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
Property Insights of 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
The XLogP value of 5.2262 indicates that 3-iodo-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 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide 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 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
The CAS number of 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide is 428451-90-5.
What is the molecular formula of 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
The molecular formula of 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide is C21H14IN3O2S.
What is the molecular weight of 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
The molecular weight of 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide is 498.99 g/mol.
Where can I buy 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
You can request a quote for 3-iodo-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-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-iodo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.