CAS RN: 34934-05-9

4-ETHYL ISATIN

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 200mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS34934-05-9
  • Purity/Analytical Methods: >99.0%
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34934-05-9 / 4-ethyl-1H-indole-2,3-dione

Standard CAS: 34934-05-9 Multi CAS: No

Basic Information

CAS
34934-05-9
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
InChI
InChI=1S/C10H9NO2/c1-2-6-4-3-5-7-8(6)9(12)10(13)11-7/h3-5H,2H2,1H3,(H,11,12,13)
InChIKey
CKFAWBMSCAGKKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.78
TPSA
46.17

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.5
Consensus LogP
1.36
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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