![CAS 926004-74-2 1H-Pyrrolo[2,3-b]pyridine, 4-iodo-5-Methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/926004-74-2.gif)
CAS RN: 926004-74-2
1H-Pyrrolo[2,3-b]pyridine, 4-iodo-5-Methoxy-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251219 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS926004-74-2
- Purity/Analytical Methods: >99.0%
926004-74-2 / 4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
926004-74-2
Multi CAS
No
Molecular Formula
C8H7In2O
Molecular Weight
274.060000
Exact Mass
273.960310
InChI
InChI=1S/C8H7IN2O/c1-12-6-4-11-8-5(7(6)9)2-3-10-8/h2-4H,1H3,(H,10,11)
InChIKey
RXRHPWNAHWJKHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.36
TPSA
37.91
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
1.9
Consensus LogP
2
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.85
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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