Dragabine
TL;DR: Dragabine (CAS 117456-68-5) is a chemical compound with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-3,5-dioxa-11,13-diazapentacyclo[10.8.1.02,6.08,21.015,20]henicosa-1(21),2(6),7,13,15,17,19-heptaene
Also Known As: Dragabine, Benzo(d)-1,3-dioxolo(4,5-g)pyrido(4,3,2-jk)(2)benzazepine, 5,6,7,7a-tetrahydro-7-methyl-, (E)-1-(4,6-Dimethoxy-benzofuran-5-yl)-3-(4-methoxy-phenyl)-propenone, Benzo[d]-1,3-dioxolo[4,5-g]pyrido[4,3,2-jk][2]benzazepine,5,6,7,7a-tetrahydro-7-methyl- (9CI), 7-Methyl-5,6,7,7a-tetrahydro-2H-[1,3]dioxolo[6,7]isoquinolino[1,8-cd][2]benzazepine
| Molecular Formula | C18H16N2O2 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.1212 |
| Heavy Atoms | 22 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 117456-68-5 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2C1N=CC5=CC=CC=C54)OCO3 |
| InChIKey | IYXPLTSTKGDBLL-UHFFFAOYSA-N |
Product Overview
Dragabine (CAS 117456-68-5), with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol. IUPAC: 11-methyl-3,5-dioxa-11,13-diazapentacyclo[10.8.1.02,6.08,21.015,20]henicosa-1(21),2(6),7,13,15,17,19-heptaene.
Chemical Property Profile of Dragabine
Property Insights of Dragabine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dragabine. With a topological polar surface area (TPSA) of 34.1 Ų, Dragabine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dragabine has 0 hydrogen bond donor(s) and 4 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 Dragabine?
The CAS number of Dragabine is 117456-68-5.
What is the molecular formula of Dragabine?
The molecular formula of Dragabine is C18H16N2O2.
What is the molecular weight of Dragabine?
The molecular weight of Dragabine is 292.12 g/mol.
Where can I buy Dragabine?
You can request a quote for Dragabine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dragabine?
Yes, KEHONG BIO provides custom synthesis services for Dragabine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.