![CAS 1046793-78-5 1H-Pyrrolo[2,3-b]pyridine, 5-broMo-3-(2-Methyl-4-thiazolyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1046793-78-5.gif)
CAS RN: 1046793-78-5
1H-Pyrrolo[2,3-b]pyridine, 5-broMo-3-(2-Methyl-4-thiazolyl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250426 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1046793-78-5
- Purity/Analytical Methods: >99.0%
1046793-78-5 / 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole
4-(5-bromo-1h-pyrrolo[2,3-b]pyridin-3-yl)-2-methylthiazole | 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-(2-methyl-4-thiazolyl)- | 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole
Basic Information
CAS
1046793-78-5
Multi CAS
No
Molecular Formula
C11H8BrN3S
Molecular Weight
294.170000
Exact Mass
292.962230
SMILES
CC1=NC(=CS1)C2=CNC3=C2C=C(C=N3)Br
InChI
InChI=1S/C11H8BrN3S/c1-6-15-10(5-16-6)9-4-14-11-8(9)2-7(12)3-13-11/h2-5H,1H3,(H,13,14)
InChIKey
NKICMGWGOYQTLL-UHFFFAOYSA-N
Synonyms
4-(5-bromo-1h-pyrrolo[2,3-b]pyridin-3-yl)-2-methylthiazole
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-(2-methyl-4-thiazolyl)-
4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole
SCHEMBL1801591
1H-Pyrrolo[2,3-b]pyridine,5-bromo-3-(2-methyl-4-thiazolyl)-
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.64
TPSA
41.57
LogP / Solubility
WLOGP
3.76
MLOGP
3.32
XLogP3
3.1
Consensus LogP
3.39
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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