![CAS 945608-15-1 1H-PYRROLO[2,3-B]PYRIDINE,3-IODO-1-METHYL-2-PHENYL- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945608-15-1.gif)
CAS RN: 945608-15-1
1H-PYRROLO[2,3-B]PYRIDINE,3-IODO-1-METHYL-2-PHENYL-
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.20250611 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS945608-15-1
- Purity/Analytical Methods: >99.0%
945608-15-1 / 3-iodo-1-methyl-2-phenylpyrrolo[2,3-b]pyridine
Basic Information
CAS
945608-15-1
Multi CAS
Yes
Molecular Formula
C14H11In2
Molecular Weight
334.150000
Exact Mass
333.996700
InChI
InChI=1S/C14H11IN2/c1-17-13(10-6-3-2-4-7-10)12(15)11-8-5-9-16-14(11)17/h2-9H,1H3
InChIKey
WGUPNUCLCHVMJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
78.87
TPSA
17.82
LogP / Solubility
WLOGP
3.84
MLOGP
3.4
XLogP3
3.6
Consensus LogP
3.61
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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