CAS RN: 253430-48-7
β-Isocupreidine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-121237
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
253430-48-7 / 4-[(3R,5S,6R,8S)-3-ethyl-4-oxa-1-azatricyclo[4.4.0.03,8]decan-5-yl]quinolin-6-ol
Basic Information
CAS
253430-48-7
Multi CAS
Yes
Molecular Formula
C19H22N2O2
Molecular Weight
310.400000
Exact Mass
310.168128
InChI
InChI=1S/C19H22N2O2/c1-2-19-11-21-8-6-12(19)9-17(21)18(23-19)14-5-7-20-16-4-3-13(22)10-15(14)16/h3-5,7,10,12,17-18,22H,2,6,8-9,11H2,1H3/t12-,17+,18-,19-/m0/s1
InChIKey
ULTQUFCPWDEOND-BTINSWFASA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.34
TPSA
45.59
LogP / Solubility
WLOGP
3.25
MLOGP
2.88
XLogP3
2.7
Consensus LogP
2.94
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
10
