CAS RN: 21087-98-9
KOENIMBINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250503 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS21087-98-9
- Purity/Analytical Methods: >99.0%
21087-98-9 / 8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
Basic Information
CAS
21087-98-9
Multi CAS
No
Molecular Formula
C19H19NO2
Molecular Weight
293.400000
Exact Mass
293.141579
SMILES
CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=C2C=C(C=C4)OC
InChI
InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3
InChIKey
OSERHKINMDLESD-UHFFFAOYSA-N
Physical Properties
Melting Point
194 - 195 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
13
Fraction Csp3
0.26
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
90.83
TPSA
34.25
LogP / Solubility
WLOGP
4.82
MLOGP
4.25
XLogP3
4.6
Consensus LogP
4.56
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
