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CAS 81199-24-8 3,5-dibromophenylsuccinic acid N-methylimide molecular structure lightbox
CAS RN: 81199-24-8

3,5-dibromophenylsuccinic acid N-methylimide

  • Product code: SSC-189744
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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: 1g
  • 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 81199-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

81199-24-8 / 3-(3,5-dibromophenyl)-1-methylpyrrolidine-2,5-dione

Standard CAS: 81199-24-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81199-24-8
Multi CAS
Yes
Molecular Formula
C11H9BR2NO2
Molecular Weight
347.000000
Exact Mass
346.897950
InChI
InChI=1S/C11H9Br2NO2/c1-14-10(15)5-9(11(14)16)6-2-7(12)4-8(13)3-6/h2-4,9H,5H2,1H3
InChIKey
TWHLAMOBWLHCHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
66.98
TPSA
37.38

LogP / Solubility

WLOGP
2.68
MLOGP
2.38
XLogP3
2.2
Consensus LogP
2.42
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
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)
-2.93

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
2

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