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CAS 90929-77-4 1-(2-hydroxyethyl)-7-azaindole molecular structure lightbox
CAS RN: 90929-77-4

1-(2-hydroxyethyl)-7-azaindole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251212 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS90929-77-4
  • Purity/Analytical Methods: >99.0%
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90929-77-4 / 2-pyrrolo[2,3-b]pyridin-1-ylethanol

Standard CAS: 90929-77-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90929-77-4
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
InChI
InChI=1S/C9H10N2O/c12-7-6-11-5-3-8-2-1-4-10-9(8)11/h1-5,12H,6-7H2
InChIKey
YBIIOIVBFKREIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.82
TPSA
38.05

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
0.5
Consensus LogP
0.81
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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