3-Nitrobenzo-2',4'-xylidide
TL;DR: 3-Nitrobenzo-2',4'-xylidide (CAS 102631-04-9) is a chemical compound with molecular formula C15H14N2O3 and molecular weight 270.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,4-dimethylphenyl)-3-nitrobenzamide
Also Known As: N-(2,4-dimethylphenyl)-3-nitrobenzamide, 3-NITROBENZO-2',4'-XYLIDIDE, N-(2,4-dimethylphenyl)-3-nitro-benzamide, 3-nitro-benzoic acid-(2,4-dimethyl-anilide), N-(2,4-Dimethylphenyl)-3-nitrobenzamide, 97%
Technical Specifications
| Molecular Formula | C15H14N2O3 |
| Molecular Weight | 270.10043 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.10043 Da |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C |
| InChIKey | ZUQZFNHYVCTIEM-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitrobenzo-2',4'-xylidide
Property Insights of 3-Nitrobenzo-2',4'-xylidide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobenzo-2',4'-xylidide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzo-2',4'-xylidide. Following Lipinski's Rule of Five, 3-Nitrobenzo-2',4'-xylidide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Nitrobenzo-2',4'-xylidide?
The CAS number of 3-Nitrobenzo-2',4'-xylidide is 102631-04-9.
What is the molecular formula of 3-Nitrobenzo-2',4'-xylidide?
The molecular formula of 3-Nitrobenzo-2',4'-xylidide is C15H14N2O3.
What is the molecular weight of 3-Nitrobenzo-2',4'-xylidide?
The molecular weight of 3-Nitrobenzo-2',4'-xylidide is 270.10043 g/mol.
Where can I buy 3-Nitrobenzo-2',4'-xylidide?
You can request a quote for 3-Nitrobenzo-2',4'-xylidide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitrobenzo-2',4'-xylidide?
Yes, CoreyChem provides custom synthesis services for 3-Nitrobenzo-2',4'-xylidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.