4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one
TL;DR: 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one (CAS 54012-89-4) is a chemical compound with molecular formula C22H26N2O and molecular weight 334.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(1-adamantyl)-1,10-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8,12-tetraen-11-one
Also Known As: 1-adamantyl[?]one, 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one, 4-adamantan-1-yl-7,8-dihydro-1H,6H-[1,4]diazepino[3,2,1-ij]q, 6H-PYRIDO(1,2,3-EF)-1,5-BENZODIAZEPIN-2(1H)-ONE, 7,8-DIHYDRO-4-TRICYCLO(3.3.1.13,7)DEC-1-YL-, 4-(1-Adamantyl)-7,8-dihydro-6H-[1,4]diazepino[3,2,1-ij]quinolin-2(1H)-one
| Molecular Formula | C22H26N2O |
|---|---|
| Molecular Weight | 334.20 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.2045 |
| Heavy Atoms | 25 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 54012-89-4 |
|---|---|
| SMILES | C1CC2=C3C(=CC=C2)NC(=O)C=C(N3C1)C45CC6CC(C4)CC(C6)C5 |
| InChIKey | AKZCKBNHPWGWHJ-UHFFFAOYSA-N |
Product Overview
4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one (CAS 54012-89-4), with molecular formula C22H26N2O and molecular weight 334.20 g/mol. IUPAC: 13-(1-adamantyl)-1,10-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8,12-tetraen-11-one.
Chemical Property Profile of 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one
Property Insights of 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one
The XLogP value of 4.3 indicates that 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one 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 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one?
The CAS number of 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one is 54012-89-4.
What is the molecular formula of 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one?
The molecular formula of 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one is C22H26N2O.
What is the molecular weight of 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one?
The molecular weight of 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one is 334.20 g/mol.
Where can I buy 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one?
You can request a quote for 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Adamantyl)-7,8-dihydro-6H-(1,4)diazepino(3,2,1-ij)quinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.