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CAS 178393-14-1 5-METHOXY-4-AZA-2-OXINDOLE molecular structure lightbox
CAS RN: 178393-14-1

5-METHOXY-4-AZA-2-OXINDOLE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251230 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS178393-14-1
  • Purity/Analytical Methods: >99.0%
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178393-14-1 / 5-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one

Standard CAS: 178393-14-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
178393-14-1
Multi CAS
No
Molecular Formula
C8H8N2O2
Molecular Weight
164.160000
Exact Mass
164.058578
SMILES
COC1=NC2=C(C=C1)NC(=O)C2
InChI
InChI=1S/C8H8N2O2/c1-12-8-3-2-5-6(10-8)4-7(11)9-5/h2-3H,4H2,1H3,(H,9,11)
InChIKey
HHKFJMBCHRBJOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.12
TPSA
51.22

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
Consensus LogP
0.36
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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