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CAS 24566-80-1 N-(10-BROMODECYL)PHTHALIMIDE molecular structure lightbox
CAS RN: 24566-80-1

N-(10-BROMODECYL)PHTHALIMIDE

  • Product code: SSC-119334
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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: ＞97%
  • 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 24566-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

24566-80-1 / 2-(10-bromodecyl)isoindole-1,3-dione

Standard CAS: 24566-80-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24566-80-1
Multi CAS
No
Molecular Formula
C18H24BrNO2
Molecular Weight
366.300000
Exact Mass
365.099040
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCCCBr
InChI
InChI=1S/C18H24BrNO2/c19-13-9-5-3-1-2-4-6-10-14-20-17(21)15-11-7-8-12-16(15)18(20)22/h7-8,11-12H,1-6,9-10,13-14H2
InChIKey
LJFIOTMXPRSHSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
92.54
TPSA
37.38

LogP / Solubility

WLOGP
4.8
MLOGP
4.24
XLogP3
5.8
Consensus LogP
4.95
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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