![CAS 1190321-89-1 2H-Pyrrolo[2,3-b]pyridin-2-one,1,3-dihydro-4-iodo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190321-89-1.gif)
CAS RN: 1190321-89-1
2H-Pyrrolo[2,3-b]pyridin-2-one,1,3-dihydro-4-iodo-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250710 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1190321-89-1
- Purity/Analytical Methods: >99.0%
1190321-89-1 / 4-iodo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
4-iodo-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one | 4-Iodo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one | 4-Iodo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
Basic Information
CAS
1190321-89-1
Multi CAS
No
Molecular Formula
C7H5IN2O
Molecular Weight
260.030000
Exact Mass
259.944660
SMILES
C1C2=C(C=CN=C2NC1=O)I
InChI
InChI=1S/C7H5IN2O/c8-5-1-2-9-7-4(5)3-6(11)10-7/h1-2H,3H2,(H,9,10,11)
InChIKey
LFCYGWNRRRKZPL-UHFFFAOYSA-N
Synonyms
4-iodo-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one
4-Iodo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
4-Iodo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
MFCD12962680
2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-4-iodo-
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.29
TPSA
41.99
LogP / Solubility
WLOGP
1.18
MLOGP
1.05
XLogP3
0.7
Consensus LogP
0.98
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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2H-Pyrrolo[2,3-b]pyridin-2-one,4,6-dichloro-1,3-dihydro-
- CAS RN: 1190322-13-4
- Product Code: SSC-019450
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![CAS 1190322-13-4 2H-Pyrrolo[2,3-b]pyridin-2-one,4,6-dichloro-1,3-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190322-13-4.gif)
