CAS RN: 6592-85-4
hydrastinine
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS6592-85-4
- Purity/Analytical Methods: >99.0%
6592-85-4 / 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol
Basic Information
CAS
6592-85-4
Multi CAS
Yes
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
InChI
InChI=1S/C11H13NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5,11,13H,2-3,6H2,1H3
InChIKey
YOJQZPVUNUQTDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.86
TPSA
41.93
LogP / Solubility
WLOGP
0.89
MLOGP
0.79
XLogP3
1.1
Consensus LogP
0.93
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
2-(2-CHLORO-BENZYLOXY)-ETHYLAMINE HYDROCHLORIDE
- CAS RN: 6594-67-8
- Product Code: SSC-175551
-
6-Benzimidazolecarboxylicacid,1,2-dimethyl-(7CI,8CI)
- CAS RN: 6595-00-2
- Product Code: SSC-175560
-
1H-Benzimidazole,1-methoxy-(9CI)
- CAS RN: 6595-08-0
- Product Code: starshine_CAS6595-08-0
- Purity/Analytical method: >99.0%
-
-
3-(5-CHLOROMETHYL-[1,2,4]OXADIAZOL-3-YL)-ANILINE
- CAS RN: 6595-79-5
- Product Code: starshine_CAS6595-79-5
- Purity/Analytical method: >99.0%
-
![CAS 6595-79-5 3-(5-CHLOROMETHYL-[1,2,4]OXADIAZOL-3-YL)-ANILINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6595-79-5.gif)
