Ro-5-3590
TL;DR: Ro-5-3590 (CAS 1427-45-8) is a chemical compound with molecular formula C16H10F3N3O3 and molecular weight 349.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-nitro-5-[2-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: Ro-5-3590, Ro-05-3590, Ro-05-5390, 1,3-Dihydro-7-nitro-5-(alpha,alpha,alpha-trifluoro-o-tolyl)2H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-(2-(trifluoromethyl)phenyl)-
Technical Specifications
| Molecular Formula | C16H10F3N3O3 |
| Molecular Weight | 349.0674 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.0674 Da |
| Heavy Atoms | 25 |
| Complexity | 573.0 |
| SMILES | C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3C(F)(F)F |
| InChIKey | YXJKYWVZADCRMD-UHFFFAOYSA-N |
Chemical Property Profile of Ro-5-3590
Property Insights of Ro-5-3590
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro-5-3590. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro-5-3590. Following Lipinski's Rule of Five, Ro-5-3590 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ro-5-3590?
The CAS number of Ro-5-3590 is 1427-45-8.
What is the molecular formula of Ro-5-3590?
The molecular formula of Ro-5-3590 is C16H10F3N3O3.
What is the molecular weight of Ro-5-3590?
The molecular weight of Ro-5-3590 is 349.0674 g/mol.
Where can I buy Ro-5-3590?
You can request a quote for Ro-5-3590 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro-5-3590?
Yes, CoreyChem provides custom synthesis services for Ro-5-3590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.