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CAS 18205-25-9 2-benzyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione molecular structure lightbox
CAS RN: 18205-25-9

2-benzyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione

  • Product code: SSC-082772
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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, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 18205-25-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry

18205-25-9 / 2-benzylpyrrolo[3,4-c]pyridine-1,3-dione

Standard CAS: 18205-25-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18205-25-9
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)C=NC=C3
InChI
InChI=1S/C14H10N2O2/c17-13-11-6-7-15-8-12(11)14(18)16(13)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
YMGCUHGBTMPMCZ-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
1.3
Consensus LogP
1.61
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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