![CAS 479552-71-1 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-1-[(4-methylphenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/479552-71-1.gif)
CAS RN: 479552-71-1
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-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.20251129 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS479552-71-1
- Purity/Analytical Methods: >99.0%
479552-71-1 / 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
Basic Information
CAS
479552-71-1
Multi CAS
Yes
Molecular Formula
BC14H11O2Rn2S
Molecular Weight
351.220000
Exact Mass
349.972460
InChI
InChI=1S/C14H11BrN2O2S/c1-10-2-4-13(5-3-10)20(18,19)17-7-6-11-8-12(15)9-16-14(11)17/h2-9H,1H3
InChIKey
OJSPXCGTOYBBJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
81.2
TPSA
51.96
LogP / Solubility
WLOGP
3.34
MLOGP
2.96
XLogP3
3.5
Consensus LogP
3.27
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
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
Yes
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 479553-01-0 1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/479553-01-0.gif)
