![CAS 1479071-34-5 2-Cyano-N,N-dimethyl-3-(2,3,6,7-tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-10-yl)-2-propenamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1479071-34-5.gif)
CAS RN: 1479071-34-5
2-Cyano-N,N-dimethyl-3-(2,3,6,7-tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-10-yl)-2-propenamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250613 | 2mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1479071-34-5
- Purity/Analytical Methods: >99.0%
1479071-34-5 / (E)-2-cyano-N,N-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-2-enamide
Basic Information
CAS
1479071-34-5
Multi CAS
No
Molecular Formula
C21H21N3O3
Molecular Weight
363.400000
Exact Mass
363.158292
SMILES
CN(C)C(=O)/C(=C/C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3)/C#N
InChI
InChI=1S/C21H21N3O3/c1-23(2)20(25)16(12-22)11-15-10-14-9-13-5-3-7-24-8-4-6-17(18(13)24)19(14)27-21(15)26/h9-11H,3-8H2,1-2H3/b16-11+
InChIKey
YCXQIYZKBAKCHQ-LFIBNONCSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
103.62
TPSA
77.55
LogP / Solubility
WLOGP
2.49
MLOGP
2.21
XLogP3
2.6
Consensus LogP
2.43
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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