![CAS 115012-09-4 5H-Pyrrolo[3,4-b]pyridin-5-one,6,7-dihydro-7-hydroxy-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/115012-09-4.gif)
CAS RN: 115012-09-4
5H-Pyrrolo[3,4-b]pyridin-5-one,6,7-dihydro-7-hydroxy-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251126 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS115012-09-4
- Purity/Analytical Methods: >99.0%
115012-09-4 / 7-hydroxy-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
7-Hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one | 7-Hydroxy-6,7-dihydropyrrolo[3,4-b]pyridin-5-one | 6,7-Dihydro-7-hydroxy-5h-pyrrolo[3,4-b]pyridin-5-one
Basic Information
CAS
115012-09-4
Multi CAS
No
Molecular Formula
C7H6N2O2
Molecular Weight
150.130000
Exact Mass
150.042927
SMILES
C1=CC2=C(C(NC2=O)O)N=C1
InChI
InChI=1S/C7H6N2O2/c10-6-4-2-1-3-8-5(4)7(11)9-6/h1-3,7,11H,(H,9,10)
InChIKey
BFURQWSCFPJMCA-UHFFFAOYSA-N
Synonyms
7-Hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
7-Hydroxy-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
6,7-Dihydro-7-hydroxy-5h-pyrrolo[3,4-b]pyridin-5-one
SCHEMBL28552219
5H-Pyrrolo[3,4-b]pyridin-5-one,6,7-dihydro-7-hydroxy-(9CI)
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.66
TPSA
62.22
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.17
XLogP3
-0.8
Consensus LogP
-0.38
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
Class (SILICOS-IT)
Very 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)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
ButanaMide, 4-aMino-N-phenyl-, Monohydrochloride
- CAS RN: 115022-96-3
- Product Code: starshine_CAS115022-96-3
- Purity/Analytical method: >99.0%
-
1H-Indole-5-carbonitrile, 3-(chloroacetyl)- (9CI)
- CAS RN: 115027-08-2
- Product Code: starshine_CAS115027-08-2
- Purity/Analytical method: >99.0%
-
Pseudolaric acid D
- CAS RN: 115028-67-6
- Product Code: starshine_CAS115028-67-6
- Purity/Analytical method: >99.0%
-
-
(S)-2-(7′-octenyl) glycine
- CAS RN: 115042-85-8
- Product Code: starshine_CAS115042-85-8
- Purity/Analytical method: >99.0%
-
CALMODULIN-DEPENDENT PROTEIN KINASE II (290-309)
- CAS RN: 115044-69-4
- Product Code: starshine_CAS115044-69-4
- Purity/Analytical method: >99.0%
