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CAS 86732-18-5 2-Benzyl-5-Methyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione molecular structure lightbox
CAS RN: 86732-18-5

2-Benzyl-5-Methyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

  • Product code: SSC-196016
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 86732-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Beijing Inquiry

86732-18-5 / 5-benzyl-2-methyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

Standard CAS: 86732-18-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86732-18-5
Multi CAS
No
Molecular Formula
C14H16N2O2
Molecular Weight
244.290000
Exact Mass
244.121178
InChI
InChI=1S/C14H16N2O2/c1-15-8-11-12(9-15)14(18)16(13(11)17)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKey
SLEWLTIVHNDEEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
66.48
TPSA
40.62

LogP / Solubility

WLOGP
0.73
MLOGP
0.65
XLogP3
0.5
Consensus LogP
0.63
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69

Drug-likeness / Medicinal Chemistry

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

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