![CAS 2810-21-1 (8’aR)-2′,3′,8′,8’a-Tetrahydro-5′,6′-dimethoxyspiro[2,5-cyclohexadiene-1,7′(1’H)-cyclopenta[ij]isoquinoline]-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2810-21-1.gif)
CAS RN: 2810-21-1
(8’aR)-2′,3′,8′,8’a-Tetrahydro-5′,6′-dimethoxyspiro[2,5-cyclohexadiene-1,7′(1’H)-cyclopenta[ij]isoquinoline]-4-one
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.20251118 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2810-21-1
- Purity/Analytical Methods: >99.0%
2810-21-1 / 10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Basic Information
CAS
2810-21-1
Multi CAS
Yes
Molecular Formula
C18H19NO3
Molecular Weight
297.300000
Exact Mass
297.136493
InChI
InChI=1S/C18H19NO3/c1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2/h3-4,6-7,9,13,19H,5,8,10H2,1-2H3
InChIKey
OGJKMZVUJJYWKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.39
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.58
TPSA
47.56
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
2.1
Consensus LogP
2.1
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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