![3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide structure](/static/products/4296/429646-92-4.webp)
3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
TL;DR: 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide (CAS 429646-92-4) is a chemical compound with molecular formula C24H20N4O4S and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
Also Known As: 3-nitro-N-({3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide, 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide, 3-nitro-N-[[3-(5-propan-2-ylbenzooxazol-2-yl)phenyl]thiocarbamoyl]benzamide
| Molecular Formula | C24H20N4O4S |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 5.6532 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.1205 |
| Heavy Atoms | 33 |
| Complexity | 1379.9143 |
Chemical Identifiers
| CAS Number | 429646-92-4 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide (CAS 429646-92-4), with molecular formula C24H20N4O4S and molecular weight 460.12 g/mol. IUPAC: 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
Property Insights of 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
The XLogP value of 5.6532 indicates that 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide?
The CAS number of 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide is 429646-92-4.
What is the molecular formula of 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide?
The molecular formula of 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide is C24H20N4O4S.
What is the molecular weight of 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide?
The molecular weight of 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide is 460.12 g/mol.
Where can I buy 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide?
You can request a quote for 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]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-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.