RO-05-2921
TL;DR: RO-05-2921 (CAS 2898-08-0) is a chemical compound with molecular formula C15H12N2O and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: 1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one, Deschlorodemethyldiazepam, CLOZAPINEN-OXIDE, 5-Phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one, Maybridge1_006686
| Molecular Formula | C15H12N2O |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.09496 |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
| Solubility | 27.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 2898-08-0 |
|---|---|
| SMILES | C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3 |
| InChIKey | IVUAAOBNUNMJQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RO-05-2921 (CAS 2898-08-0), with molecular formula C15H12N2O and molecular weight 236.09 g/mol. IUPAC: 5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of RO-05-2921
Property Insights of RO-05-2921
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RO-05-2921. With a topological polar surface area (TPSA) of 41.5 Ų, RO-05-2921 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RO-05-2921 has 1 hydrogen bond donor(s) and 2 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-05-2921?
The CAS number of RO-05-2921 is 2898-08-0.
What is the molecular formula of RO-05-2921?
The molecular formula of RO-05-2921 is C15H12N2O.
What is the molecular weight of RO-05-2921?
The molecular weight of RO-05-2921 is 236.09 g/mol.
Where can I buy RO-05-2921?
You can request a quote for RO-05-2921 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RO-05-2921?
Yes, KEHONG BIO provides custom synthesis services for RO-05-2921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.