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CAS 25379-20-8 2-PHENYLINDOLIZINE molecular structure lightbox
CAS RN: 25379-20-8

2-PHENYLINDOLIZINE

  • Product code: SSC-121294
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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 25379-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

25379-20-8 / 2-phenylindolizine

Standard CAS: 25379-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25379-20-8
Multi CAS
No
Molecular Formula
C14H11N
Molecular Weight
193.240000
Exact Mass
193.089149
SMILES
C1=CC=C(C=C1)C2=CN3C=CC=CC3=C2
InChI
InChI=1S/C14H11N/c1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h1-11H
InChIKey
JMCYJDYOEWQZDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
62.83
TPSA
4.41

LogP / Solubility

WLOGP
3.61
MLOGP
3.17
XLogP3
4.3
Consensus LogP
3.69
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-1.34

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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