CAS RN: 150323-78-7
Quipazine dimaleate
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS150323-78-7
- Purity/Analytical Methods: >99.0%
150323-78-7 / bis((Z)-but-2-enedioic acid);2-piperazin-1-ylquinoline
Basic Information
CAS
150323-78-7
Multi CAS
No
Molecular Formula
C21H23N3O8
Molecular Weight
445.400000
Exact Mass
445.148515
SMILES
C1NCCN(C1)C2=NC3=CC=CC=C3C=C2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C13H15N3.2C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;2*5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey
VAOSOCRJSSWBEQ-SPIKMXEPSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
10
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
5
Molar refractivity
115.65
TPSA
177.36
LogP / Solubility
WLOGP
1.07
MLOGP
0.97
XLogP3
1.07
Consensus LogP
1.04
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 150331-99-0 3-Furanacetic acid, .alpha.-aminotetrahydro-, [S-(R*,R*)]- (9CI) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-Furanacetic acid, .alpha.-aminotetrahydro-, [S-(R*,R*)]- (9CI)
- CAS RN: 150331-99-0
- Product Code: SSC-060292
-
“threo-7-O-Methylguaiacylglycerol β-coniferyl ether”
- CAS RN: 150333-85-0
- Product Code: starshine_CAS150333-85-0
- Purity/Analytical method: >99.0%
-
-
3′,6′-(Dimethylamino)-3-oxo-spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-ar-carboxylic acid
- CAS RN: 150347-56-1
- Product Code: starshine_CAS150347-56-1
- Purity/Analytical method: >99.0%
-
5(6)-CARBOXYNAPHTHOFLUORESCEIN N-SUCCINIMIDYL ESTER
- CAS RN: 150347-58-3
- Product Code: starshine_CAS150347-58-3
- Purity/Analytical method: >99.0%
-
5(6)-(N-SUCCINIMIDYLOXYCARBONYL)-3′,6′,O,O’-DIACETYLFLUORESCEIN
- CAS RN: 150347-59-4
- Product Code: starshine_CAS150347-59-4
- Purity/Analytical method: >99.0%
![CAS 150331-99-0 3-Furanacetic acid, .alpha.-aminotetrahydro-, [S-(R*,R*)]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150331-99-0.gif)
![CAS 150347-56-1 3′,6′-(Dimethylamino)-3-oxo-spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-ar-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150347-56-1.gif)
