Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate
TL;DR: Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate (CAS 15690-54-7) is a chemical compound with molecular formula C21H16N4O8 and molecular weight 452.0968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitrophenyl) N-[2-methyl-5-[(4-nitrophenoxy)carbonylamino]phenyl]carbamate
Also Known As: Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate, (4-nitrophenyl) N-[2-methyl-5-[(4-nitrophenoxy)carbonylamino]phenyl]carbamate, Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)biscarbamate, 4-Methyl-1,3-phenylenedicarbamic acid bis(4-nitrophenyl) ester, C,C'-Bis(4-nitrophenyl) N,N'-(4-methyl-1,3-phenylene)bis[carbamate]
Technical Specifications
| Molecular Formula | C21H16N4O8 |
| Molecular Weight | 452.0968 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 168.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.0968 Da |
| Heavy Atoms | 33 |
| Complexity | 708.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | DNVSZCZZFZEHDP-UHFFFAOYSA-N |
Chemical Property Profile of Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate
Property Insights of Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate
The XLogP value of 4.2 indicates that Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate?
The CAS number of Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate is 15690-54-7.
What is the molecular formula of Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate?
The molecular formula of Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate is C21H16N4O8.
What is the molecular weight of Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate?
The molecular weight of Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate is 452.0968 g/mol.
Where can I buy Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate?
You can request a quote for Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate?
Yes, CoreyChem provides custom synthesis services for Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.