5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
TL;DR: 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one (CAS 885-70-1) is a chemical compound with molecular formula C12H9N3O and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
Also Known As: 5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one, BI-RG-587 analog, 5,11-Dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one, Pirenzepine EP Impurity B, 2,4,6-Tribromothiophenol
| Molecular Formula | C12H9N3O |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.07455 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 885-70-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC3=C(N2)N=CC=C3 |
| InChIKey | MIRBIZDDMSFTKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one (CAS 885-70-1), with molecular formula C12H9N3O and molecular weight 211.07 g/mol. IUPAC: 5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one.
Chemical Property Profile of 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
Property Insights of 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one. With a topological polar surface area (TPSA) of 54.0 Ų, 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one has 2 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 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one?
The CAS number of 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one is 885-70-1.
What is the molecular formula of 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one?
The molecular formula of 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one is C12H9N3O.
What is the molecular weight of 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one?
The molecular weight of 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one is 211.07 g/mol.
Where can I buy 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one?
You can request a quote for 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.