![CAS 1160112-78-6 2H-Pyrrolo[2,3-b]pyridin-2-one,1,3-dihydro-5-iodo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160112-78-6.gif)
CAS RN: 1160112-78-6
2H-Pyrrolo[2,3-b]pyridin-2-one,1,3-dihydro-5-iodo-
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.20260104 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-016042
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1160112-78-6 / 5-iodo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
5-Iodo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one | 5-Iodo-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one | MFCD15529121
Basic Information
CAS
1160112-78-6
Multi CAS
No
Molecular Formula
C7H5IN2O
Molecular Weight
260.030000
Exact Mass
259.944660
SMILES
C1C2=C(NC1=O)N=CC(=C2)I
InChI
InChI=1S/C7H5IN2O/c8-5-1-4-2-6(11)10-7(4)9-3-5/h1,3H,2H2,(H,9,10,11)
InChIKey
ALGOIAHLVWYPHU-UHFFFAOYSA-N
Synonyms
5-Iodo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
5-Iodo-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one
MFCD15529121
2H-Pyrrolo[2,3-b]pyridin-2-one,1,3-dihydro-5-iodo-
2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-5-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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![CAS 1160221-25-9 Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160221-25-9.gif)