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CAS 357263-49-1 METHYL 7-AZAINDOLE-3-GLYOXYLATE molecular structure lightbox
CAS RN: 357263-49-1

METHYL 7-AZAINDOLE-3-GLYOXYLATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260526 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS357263-49-1
  • Purity/Analytical Methods: >99.0%
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357263-49-1 / methyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate

Standard CAS: 357263-49-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
357263-49-1
Multi CAS
Yes
Molecular Formula
C10H8N2O3
Molecular Weight
204.180000
Exact Mass
204.053492
InChI
InChI=1S/C10H8N2O3/c1-15-10(14)8(13)7-5-12-9-6(7)3-2-4-11-9/h2-5H,1H3,(H,11,12)
InChIKey
LXGPNHJNIRDJER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.44
TPSA
72.05

LogP / Solubility

WLOGP
0.92
MLOGP
0.81
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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