CAS RN: 7174-27-8
Vasicine hydrochloride, analytical reference
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260217 | 10mg | Out of stock | Inquiry |
- Product code: LINV889774
7174-27-8 / (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride
Basic Information
CAS
7174-27-8
Multi CAS
Yes
Molecular Formula
C11H13CLN2O
Molecular Weight
224.680000
Exact Mass
224.071641
InChI
InChI=1S/C11H12N2O.ClH/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13;/h1-4,10,14H,5-7H2;1H/t10-;/m0./s1
InChIKey
CSDQSAHJCAKJPT-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.82
TPSA
35.83
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.72
Consensus LogP
1.65
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
