CAS RN: 748810-28-8
VERNAKALANT HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
14 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250830 | 2mg / 5mg / 10mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250830 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250706 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260312 | 1g | Out of stock | Inquiry | ||
| Batchno.20250107 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250216 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250116 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260125 | 2mg | In stock | Shanghai | Inquiry | |
| Batchno.20250308 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250621 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS748810-28-8
- Purity/Analytical Methods: >99.0%
748810-28-8 / (3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride
Basic Information
CAS
748810-28-8
Multi CAS
Yes
Molecular Formula
C20H32CLNO4
Molecular Weight
385.900000
Exact Mass
385.201986
InChI
InChI=1S/C20H31NO4.ClH/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21;/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3;1H/t16-,17-,18-;/m1./s1
InChIKey
JMHYCBFEEFHTMK-IIUXMCBISA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
104.69
TPSA
51.16
LogP / Solubility
WLOGP
3.06
MLOGP
2.72
XLogP3
3.06
Consensus LogP
2.95
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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