![CAS 869335-18-2 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/869335-18-2.gif)
CAS RN: 869335-18-2
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-
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.20251101 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS869335-18-2
- Purity/Analytical Methods: >99.0%
869335-18-2 / 4-chloro-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
Basic Information
CAS
869335-18-2
Multi CAS
Yes
Molecular Formula
C15H13CLN2O2S
Molecular Weight
320.800000
Exact Mass
320.038627
InChI
InChI=1S/C15H13ClN2O2S/c1-10-3-5-12(6-4-10)21(19,20)18-9-11(2)14-13(16)7-8-17-15(14)18/h3-9H,1-2H3
InChIKey
YBJUYMVPMWMUQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
83.24
TPSA
51.96
LogP / Solubility
WLOGP
3.54
MLOGP
3.13
XLogP3
3.8
Consensus LogP
3.49
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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