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CAS 3682-71-1 2-phenylindazole molecular structure lightbox
CAS RN: 3682-71-1

2-phenylindazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-144066
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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: ≥97%
  • 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 3682-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

3682-71-1 / 2-phenylindazole

Standard CAS: 3682-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3682-71-1
Multi CAS
No
Molecular Formula
C13H10N2
Molecular Weight
194.230000
Exact Mass
194.084398
SMILES
C1=CC=C(C=C1)N2C=C3C=CC=CC3=N2
InChI
InChI=1S/C13H10N2/c1-2-7-12(8-3-1)15-10-11-6-4-5-9-13(11)14-15/h1-10H
InChIKey
IXOZZKPZLXAEAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.07
TPSA
17.82

LogP / Solubility

WLOGP
3.03
MLOGP
2.66
XLogP3
3.2
Consensus LogP
2.96
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-1.76

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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