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CAS 1267337-47-2 2,6-Piperidinedione, 3-(4-bromophenyl)- molecular structure lightbox
CAS RN: 1267337-47-2

2,6-Piperidinedione, 3-(4-bromophenyl)-

  • Product code: SSC-033861
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 5g, 10g, 25g, 100g, 0.25g
  • Available purity: >98%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1267337-47-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Beijing Inquiry
1g >98% 5 In Stock Hong Kong Inquiry
5g >98% 5 In Stock Beijing Inquiry
10g >98% 5 In Stock Shenzhen Inquiry
25g >98% 5 In Stock Beijing Inquiry
100g >98% 5 In Stock Hong Kong Inquiry
0.25g >98% 2 In Stock Hong Kong Inquiry

1267337-47-2 / 3-(4-bromophenyl)piperidine-2,6-dione

Standard CAS: 1267337-47-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1267337-47-2
Multi CAS
No
Molecular Formula
C11H10BrNO2
Molecular Weight
268.110000
Exact Mass
266.989490
SMILES
C1CC(=O)NC(=O)C1C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H10BrNO2/c12-8-3-1-7(2-4-8)9-5-6-10(14)13-11(9)15/h1-4,9H,5-6H2,(H,13,14,15)
InChIKey
YPICLEOQEVPRGE-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
H-bond donors
1
Molar refractivity
59.27
TPSA
46.17

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1.7
Consensus LogP
1.8
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.96

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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