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CAS 937664-94-3 7-bromo-1-ethyl-5-methyl-1H-indole-2,3-dione(SALTDATA: FREE) molecular structure lightbox
CAS RN: 937664-94-3

7-bromo-1-ethyl-5-methyl-1H-indole-2,3-dione(SALTDATA: FREE)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250803 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS937664-94-3
  • Purity/Analytical Methods: >99.0%
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937664-94-3 / 7-bromo-1-ethyl-5-methylindole-2,3-dione

Standard CAS: 937664-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
937664-94-3
Multi CAS
No
Molecular Formula
BC11H10O2Rn
Molecular Weight
268.110000
Exact Mass
266.989490
InChI
InChI=1S/C11H10BrNO2/c1-3-13-9-7(10(14)11(13)15)4-6(2)5-8(9)12/h4-5H,3H2,1-2H3
InChIKey
YZOKQXZKPAIFCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.24
TPSA
37.38

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2.3
Consensus LogP
2.22
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

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

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