CAS RN: 32795-47-4
NOMIFENSINE MALEATE SALT
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250326 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS32795-47-4
- Purity/Analytical Methods: >99.0%
32795-47-4 / 4-hydroxy-4-oxobut-2-enoate;2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-amine
Basic Information
CAS
32795-47-4
Multi CAS
Yes
Molecular Formula
C20H22N2O4
Molecular Weight
354.400000
Exact Mass
354.157957
InChI
InChI=1S/C16H18N2.C4H4O4/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18;5-3(6)1-2-4(7)8/h2-9,14H,10-11,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
GEOCVSMCLVIOEV-BTJKTKAUSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
96.38
TPSA
107.89
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.15
XLogP3
-0.19
Consensus LogP
-0.18
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
-
bucloxic acid
- CAS RN: 32808-51-8
- Product Code: starshine_CAS32808-51-8
- Purity/Analytical method: >99.0%
-
-
1-Benzo[1,3]dioxol-5-yl-cyclopropanecarbonitrile
- CAS RN: 33522-14-4
- Product Code: SSC-139636
-
![CAS 33522-14-4 1-Benzo[1,3]dioxol-5-yl-cyclopropanecarbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/33522-14-4.gif)
