2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile
TL;DR: 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile (CAS 3489-59-6) is a chemical compound with molecular formula C17H13N3O and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile
Also Known As: Ro 5-4528, Ro-5-4528, 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile, Ro-05-4528, 1H-1,4-BENZODIAZEPINE-7-CARBONITRILE, 2,3-DIHYDRO-1-METHYL-2-OXO-5-PHENYL-
| Molecular Formula | C17H13N3O |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.10587 |
| Heavy Atoms | 21 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 3489-59-6 |
|---|---|
| SMILES | CN1C(=O)CN=C(C2=C1C=CC(=C2)C#N)C3=CC=CC=C3 |
| InChIKey | PMDUNHOOULGNCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile (CAS 3489-59-6), with molecular formula C17H13N3O and molecular weight 275.11 g/mol. IUPAC: 1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile.
Chemical Property Profile of 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile
Property Insights of 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile. With a topological polar surface area (TPSA) of 56.5 Ų, 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile has 0 hydrogen bond donor(s) and 3 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 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile?
The CAS number of 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile is 3489-59-6.
What is the molecular formula of 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile?
The molecular formula of 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile is C17H13N3O.
What is the molecular weight of 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile?
The molecular weight of 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile is 275.11 g/mol.
Where can I buy 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile?
You can request a quote for 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.