CAS RN: 524-61-8
Cinchonidine Sulfate Dihydrate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-159500
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
524-61-8 / bis((R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol);sulfuric acid
Basic Information
CAS
524-61-8
Multi CAS
Yes
Molecular Formula
C38H46N4O6S
Molecular Weight
686.900000
Exact Mass
686.313806
InChI
InChI=1S/2C19H22N2O.H2O4S/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)/t2*13-,14-,18-,19+;/m00./s1
InChIKey
WBBHOISPYYYBTC-IDJJGHEZSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
20
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
4
Molar refractivity
191.13
TPSA
147.32
LogP / Solubility
WLOGP
5.68
MLOGP
5.05
XLogP3
5.68
Consensus LogP
5.47
Log S (ESOL)
-7.58
Class (ESOL)
Insoluble
Log S (Ali)
-9.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
