![CAS 443729-67-7 Ethanone, 1-(4-iodo-1H-pyrrolo[2,3-b]pyridin-1-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/443729-67-7.gif)
CAS RN: 443729-67-7
Ethanone, 1-(4-iodo-1H-pyrrolo[2,3-b]pyridin-1-yl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250918 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS443729-67-7
- Purity/Analytical Methods: >99.0%
443729-67-7 / 1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone
Basic Information
CAS
443729-67-7
Multi CAS
No
Molecular Formula
C9H7In2O
Molecular Weight
286.070000
Exact Mass
285.960310
InChI
InChI=1S/C9H7IN2O/c1-6(13)12-5-3-7-8(10)2-4-11-9(7)12/h2-5H,1H3
InChIKey
SDDUGTXURCFAKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
3
Molar refractivity
58.75
TPSA
34.89
LogP / Solubility
WLOGP
2.3
MLOGP
2.04
XLogP3
1.8
Consensus LogP
2.05
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
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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