CAS RN: 93117-07-8
1(2H)-Isoquinolinone, 5-aMino-, Monohydrochloride
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250430 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS93117-07-8
- Purity/Analytical Methods: >99.0%
93117-07-8 / 5-amino-4H-isoquinolin-1-one;hydrochloride
Basic Information
CAS
93117-07-8
Multi CAS
Yes
Molecular Formula
C9H9CLN2O
Molecular Weight
196.630000
Exact Mass
196.040341
InChI
InChI=1S/C9H8N2O.ClH/c10-8-3-1-2-7-6(8)4-5-11-9(7)12;/h1-5H,10H2,(H,11,12);1H
InChIKey
KWNLARCFSYAXLT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.63
TPSA
55.45
LogP / Solubility
WLOGP
1.46
MLOGP
1.28
XLogP3
1.46
Consensus LogP
1.4
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
(1R,3S)-5-[2-[(1R,3aR,7aS)-1-[(2R,5S)-5-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
- CAS RN: 93129-94-3
- Product Code: starshine_CAS93129-94-3
- Purity/Analytical method: >99.0%
-
1-Benzyl-2-methylpiperazine (hydrochloride)
- CAS RN: 93138-53-5
- Product Code: starshine_CAS93138-53-5
- Purity/Analytical method: >99.0%
-
-
![CAS 93129-94-3 (1R,3S)-5-[2-[(1R,3aR,7aS)-1-[(2R,5S)-5-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/93129-94-3.gif)
