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CAS 274-40-8 INDOLIZINE molecular structure lightbox
CAS RN: 274-40-8

INDOLIZINE

  • Product code: SSC-126621
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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: ≥98%
  • 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 274-40-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

274-40-8 / indolizine

Standard CAS: 274-40-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
274-40-8
Multi CAS
No
Molecular Formula
C8H7N
Molecular Weight
117.150000
Exact Mass
117.057849
SMILES
C1=CC2=CC=CN2C=C1
InChI
InChI=1S/C8H7N/c1-2-6-9-7-3-5-8(9)4-1/h1-7H
InChIKey
HOBCFUWDNJPFHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
9
H-bond acceptors
1
Molar refractivity
37.4
TPSA
4.41

LogP / Solubility

WLOGP
1.94
MLOGP
1.7
XLogP3
2.5
Consensus LogP
2.05
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-2.06

Drug-likeness / Medicinal Chemistry

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

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