TL;DR: 4,4'-Diaminodiphenyl carbonate (CAS 19363-39-4) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(4-aminophenyl) carbonate
Also Known As: Bis(4-aminophenyl) carbonate, 4,4'-Diaminodiphenyl carbonate, NCIOpen2_004414, NCIOpen2_007988, 4,4-Diaminodiphenyl carbonate
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H12N2O3 |
| Molecular Weight | 244.0848 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 87.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0848 Da |
| Heavy Atoms | 18 |
| Complexity | 243.0 |
| SMILES | C1=CC(=CC=C1N)OC(=O)OC2=CC=C(C=C2)N |
| InChIKey | JBBBDGJYVDMMMN-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Diaminodiphenyl carbonate. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Diaminodiphenyl carbonate. Following Lipinski's Rule of Five, 4,4'-Diaminodiphenyl carbonate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,4'-Diaminodiphenyl carbonate is 19363-39-4.
The molecular formula of 4,4'-Diaminodiphenyl carbonate is C13H12N2O3.
The molecular weight of 4,4'-Diaminodiphenyl carbonate is 244.0848 g/mol.
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