Ro 11-6893
TL;DR: Ro 11-6893 (CAS 68179-49-7) is a chemical compound with molecular formula C17H14FN3O3 and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-5-(2-fluorophenyl)-1,3-dimethyl-7-nitro-3H-1,4-benzodiazepin-2-one
Also Known As: 3-Methylflunitrazepam, Ro 11-6893, Palladium 5-sulfomercaptoquinoline, Ro-11-6893, 5-Sulfo-6-mercaptoquinolinate palladium
| Molecular Formula | C17H14FN3O3 |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.10193 |
| Heavy Atoms | 24 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 68179-49-7 |
|---|---|
| SMILES | C[C@@H]1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3F)C |
| InChIKey | VEBJBUWJWNNSAG-SNVBAGLBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 11-6893 (CAS 68179-49-7), with molecular formula C17H14FN3O3 and molecular weight 327.10 g/mol. IUPAC: (3R)-5-(2-fluorophenyl)-1,3-dimethyl-7-nitro-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of Ro 11-6893
Property Insights of Ro 11-6893
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 11-6893. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 11-6893. Following Lipinski's Rule of Five, Ro 11-6893 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ro 11-6893?
The CAS number of Ro 11-6893 is 68179-49-7.
What is the molecular formula of Ro 11-6893?
The molecular formula of Ro 11-6893 is C17H14FN3O3.
What is the molecular weight of Ro 11-6893?
The molecular weight of Ro 11-6893 is 327.10 g/mol.
Where can I buy Ro 11-6893?
You can request a quote for Ro 11-6893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 11-6893?
Yes, KEHONG BIO provides custom synthesis services for Ro 11-6893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.