![2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide structure](/static/products/5359/535979-53-4.webp)
2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide
TL;DR: 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide (CAS 535979-53-4) is a chemical compound with molecular formula C23H17ClN4O4S and molecular weight 480.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide
Also Known As: 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide, 2-chloro-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-nitrobenzamide, 2-chloro-N-[[2-(3,4-dimethylphenyl)benzooxazol-5-yl]thiocarbamoyl]-5-nitro-benzamide, 2-chloro-N-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-5-nitrobenzamide
| Molecular Formula | C23H17ClN4O4S |
|---|---|
| Molecular Weight | 480.07 g/mol |
| LogP | 5.80004 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.06592 |
| Heavy Atoms | 33 |
| Complexity | 1433.5063 |
Chemical Identifiers
| CAS Number | 535979-53-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C |
Product Overview
2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide (CAS 535979-53-4), with molecular formula C23H17ClN4O4S and molecular weight 480.07 g/mol. IUPAC: 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide
Property Insights of 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide
The XLogP value of 5.80004 indicates that 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-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 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-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 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide?
The CAS number of 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide is 535979-53-4.
What is the molecular formula of 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide?
The molecular formula of 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide is C23H17ClN4O4S.
What is the molecular weight of 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide?
The molecular weight of 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide is 480.07 g/mol.
Where can I buy 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide?
You can request a quote for 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.