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CAS 18184-75-3 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine molecular structure lightbox
CAS RN: 18184-75-3

6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250127 100g In stock Inquiry
Batchno.20260623 1g In stock Inquiry
Batchno.20250202 25g In stock Inquiry
Batchno.20260613 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250513 1g / 5g / 25g / 100g / 500g / 1kg Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-082666
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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: 100g
  • 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 18184-75-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

18184-75-3 / 6-benzylpyrrolo[3,4-b]pyridine-5,7-dione

Standard CAS: 18184-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18184-75-3
Multi CAS
No
Molecular Formula
C14H10N2O2
Molecular Weight
238.240000
Exact Mass
238.074228
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)N=CC=C3
InChI
InChI=1S/C14H10N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKey
DWUBVULEMQOCPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
64.88
TPSA
50.27

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.7
Consensus LogP
1.75
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

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
1.5

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