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CAS 84716-37-0 2-NAPHTHALEN-1-YL-1H-PYRROLE molecular structure lightbox
CAS RN: 84716-37-0

2-NAPHTHALEN-1-YL-1H-PYRROLE

  • Product code: SSC-192274
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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 84716-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

84716-37-0 / 2-naphthalen-1-yl-1H-pyrrole

Standard CAS: 84716-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84716-37-0
Multi CAS
No
Molecular Formula
C14H11N
Molecular Weight
193.240000
Exact Mass
193.089149
InChI
InChI=1S/C14H11N/c1-2-7-12-11(5-1)6-3-8-13(12)14-9-4-10-15-14/h1-10,15H
InChIKey
AYSZVAJFMOEQSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond donors
1
Molar refractivity
63.73
TPSA
15.79

LogP / Solubility

WLOGP
3.83
MLOGP
3.37
XLogP3
3.6
Consensus LogP
3.6
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18

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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