![N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide structure](/static/products/535/535946-23-7.png)
N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide
TL;DR: N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide (CAS 535946-23-7) is a chemical compound with molecular formula C27H20N4O5S and molecular weight 512.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
Also Known As: N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide, N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide, N-[[2-(3,4-dimethylphenyl)benzooxazol-5-yl]thiocarbamoyl]-5-(3-nitrophenyl)furan-2-carboxamide, N-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide
| Molecular Formula | C27H20N4O5S |
|---|---|
| Molecular Weight | 512.12 g/mol |
| LogP | 6.40664 |
| Topological Polar Surface Area | 123.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.1154 |
| Heavy Atoms | 37 |
| Complexity | 1687.4629 |
Chemical Identifiers
| CAS Number | 535946-23-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])C |
Product Overview
N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide (CAS 535946-23-7), with molecular formula C27H20N4O5S and molecular weight 512.12 g/mol. IUPAC: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide.
Chemical Property Profile of N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide
Property Insights of N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide
The XLogP value of 6.40664 indicates that N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide. Following Lipinski's Rule of Five, N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide has 2 hydrogen bond donor(s) and 7 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-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The CAS number of N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide is 535946-23-7.
What is the molecular formula of N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The molecular formula of N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide is C27H20N4O5S.
What is the molecular weight of N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The molecular weight of N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide is 512.12 g/mol.
Where can I buy N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide?
You can request a quote for N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.