![CAS 43103-81-7 5-nitro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/43103-81-7.gif)
CAS RN: 43103-81-7
5-nitro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260304 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS43103-81-7
- Purity/Analytical Methods: >99.0%
43103-81-7 / 5-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
Basic Information
CAS
43103-81-7
Multi CAS
No
Molecular Formula
C7H5N3O3
Molecular Weight
179.130000
Exact Mass
179.033091
InChI
InChI=1S/C7H5N3O3/c11-6-2-4-1-5(10(12)13)3-8-7(4)9-6/h1,3H,2H2,(H,8,9,11)
InChIKey
KBPJYTUKKDDTCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.23
TPSA
85.13
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
XLogP3
-0.1
Consensus LogP
0.27
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
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
-
-
o-AdaMantylanisole
- CAS RN: 43109-77-9
- Product Code: starshine_CAS43109-77-9
- Purity/Analytical method: >99.0%
-
-
-
-
![CAS 43111-34-8 2-[4-(Methylthio)phenoxy]acetonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/43111-34-8.gif)
