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CAS 136257-31-3 2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-1-(phenylMethyl)- molecular structure lightbox
CAS RN: 136257-31-3

2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-1-(phenylMethyl)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-045171
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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: ≥95%
  • 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 136257-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

136257-31-3 / 1-benzyl-3H-pyrrolo[2,3-b]pyridin-2-one

Standard CAS: 136257-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136257-31-3
Multi CAS
No
Molecular Formula
C14H12N2O
Molecular Weight
224.260000
Exact Mass
224.094963
SMILES
C1C2=C(N=CC=C2)N(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C14H12N2O/c17-13-9-12-7-4-8-15-14(12)16(13)10-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKey
NQRONXBAZCQBDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
65.57
TPSA
33.2

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
1.7
Consensus LogP
1.93
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately 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
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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