![N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide structure](/static/products/3473/347336-63-4.webp)
N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide
TL;DR: N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide (CAS 347336-63-4) is a chemical compound with molecular formula C21H12Cl2N4O4S and molecular weight 486.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide
Also Known As: N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide, N-{[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-4-nitrobenzamide
| Molecular Formula | C21H12Cl2N4O4S |
|---|---|
| Molecular Weight | 486.00 g/mol |
| LogP | 5.8366 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.99564 |
| Heavy Atoms | 32 |
| Complexity | 1372.2449 |
Chemical Identifiers
| CAS Number | 347336-63-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide (CAS 347336-63-4), with molecular formula C21H12Cl2N4O4S and molecular weight 486.00 g/mol. IUPAC: N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide
Property Insights of N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide
The XLogP value of 5.8366 indicates that N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide 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 N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide 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 N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
The CAS number of N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide is 347336-63-4.
What is the molecular formula of N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
The molecular formula of N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide is C21H12Cl2N4O4S.
What is the molecular weight of N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
The molecular weight of N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide is 486.00 g/mol.
Where can I buy N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
You can request a quote for N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.