![11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one structure](/static/products/6978/697801-14-2.webp)
11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
TL;DR: 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one (CAS 697801-14-2) is a chemical compound with molecular formula C25H25N5O3 and molecular weight 443.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-9-methyl-13-[2-[(3-oxo-2,4-dihydro-1H-isoquinolin-8-yl)oxy]ethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Also Known As: 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2a(2),3a(2)-e][1,4]diazepin-6-one, 11-ethyl-5-methyl-8-[2-[(3-oxo-2,4-dihydro-1H-isoquinolin-8-yl)oxy]ethyl]dipyrido[[?],[?]][1,4]diazepin-6-one, 6H-Dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-
| Molecular Formula | C25H25N5O3 |
|---|---|
| Molecular Weight | 443.20 g/mol |
| LogP | 3.0184 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.19574 |
| Heavy Atoms | 33 |
| Complexity | 1242.462 |
Chemical Identifiers
| CAS Number | 697801-14-2 |
|---|---|
| SMILES | CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)CCOC4=CC=CC5=C4CNC(=O)C5)C |
Product Overview
11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one (CAS 697801-14-2), with molecular formula C25H25N5O3 and molecular weight 443.20 g/mol. IUPAC: 2-ethyl-9-methyl-13-[2-[(3-oxo-2,4-dihydro-1H-isoquinolin-8-yl)oxy]ethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.
Chemical Property Profile of 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Property Insights of 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
The XLogP value of 3.0184 indicates that 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one. Following Lipinski's Rule of Five, 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one has 1 hydrogen bond donor(s) and 6 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 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one?
The CAS number of 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one is 697801-14-2.
What is the molecular formula of 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one?
The molecular formula of 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one is C25H25N5O3.
What is the molecular weight of 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one?
The molecular weight of 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one is 443.20 g/mol.
Where can I buy 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one?
You can request a quote for 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 11-Ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-3-oxo-8-isoquinolinyl)oxy]ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.