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CAS 1198097-37-8 5-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine molecular structure lightbox
CAS RN: 1198097-37-8

5-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1198097-37-8
  • Purity/Analytical Methods: >99.0%
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1198097-37-8 / (5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

5-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine | 1H-Pyrrolo[2,3-b]pyridine, 5-methoxy-1-[tris(1-methylethyl)silyl]- | MFCD13176649

Standard CAS: 1198097-37-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198097-37-8
Multi CAS
No
Molecular Formula
C17H28N2OSi
Molecular Weight
304.500000
Exact Mass
304.197090
SMILES
CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=CC(=CN=C21)OC
InChI
InChI=1S/C17H28N2OSi/c1-12(2)21(13(3)4,14(5)6)19-9-8-15-10-16(20-7)11-18-17(15)19/h8-14H,1-7H3
InChIKey
LVZHYRFQHFARDO-UHFFFAOYSA-N
Synonyms
5-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine 1H-Pyrrolo[2,3-b]pyridine, 5-methoxy-1-[tris(1-methylethyl)silyl]- MFCD13176649 (5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane SCHEMBL29533363

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.59
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
92.73
TPSA
27.05

LogP / Solubility

WLOGP
5.07
MLOGP
4.47
XLogP3
5.07
Consensus LogP
4.87
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
Class (SILICOS-IT)
Insoluble

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)
-0.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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