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CAS 872271-71-1 5,7-Dibromo-3,3-dimethyloxindole molecular structure lightbox
CAS RN: 872271-71-1

5,7-Dibromo-3,3-dimethyloxindole

  • Product code: SSC-196957
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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: 5g
  • 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 872271-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

872271-71-1 / 5,7-dibromo-3,3-dimethyl-1H-indol-2-one

Standard CAS: 872271-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
872271-71-1
Multi CAS
No
Molecular Formula
C10H9BR2NO
Molecular Weight
318.990000
Exact Mass
318.903040
InChI
InChI=1S/C10H9Br2NO/c1-10(2)6-3-5(11)4-7(12)8(6)13-9(10)14/h3-4H,1-2H3,(H,13,14)
InChIKey
MJVOOYJHLGGINK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.5
TPSA
29.1

LogP / Solubility

WLOGP
3.44
MLOGP
3.04
XLogP3
3.1
Consensus LogP
3.19
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

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

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