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CAS 29245-44-1 5-bromo-2-(5-bromo-4-chloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-4-chloro-1,2-dihydro-3H-indol-3-one molecular structure lightbox
CAS RN: 29245-44-1

5-bromo-2-(5-bromo-4-chloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-4-chloro-1,2-dihydro-3H-indol-3-one

  • Product code: SSC-131821
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 29245-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

29245-44-1 / 5-bromo-2-(5-bromo-4-chloro-3-hydroxy-1H-indol-2-yl)-4-chloroindol-3-one

Standard CAS: 29245-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29245-44-1
Multi CAS
No
Molecular Formula
C16H6BR2CL2N2O2
Molecular Weight
488.900000
Exact Mass
487.815260
InChI
InChI=1S/C16H6Br2Cl2N2O2/c17-5-1-3-7-9(11(5)19)15(23)13(21-7)14-16(24)10-8(22-14)4-2-6(18)12(10)20/h1-4,21,23H
InChIKey
DRLXAEQIVDKLNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
102.35
TPSA
65.45

LogP / Solubility

WLOGP
6.02
MLOGP
5.33
XLogP3
5.4
Consensus LogP
5.58
Log S (ESOL)
-7.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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