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CAS 1443979-68-7 2-(pyrrolidin-3-yl)-2H-indazole molecular structure lightbox
CAS RN: 1443979-68-7

2-(pyrrolidin-3-yl)-2H-indazole

  • Product code: SSC-055604
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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 1443979-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1443979-68-7 / 2-pyrrolidin-3-ylindazole

Standard CAS: 1443979-68-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1443979-68-7
Multi CAS
No
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
SMILES
C1CNCC1N2C=C3C=CC=CC3=N2
InChI
InChI=1S/C11H13N3/c1-2-4-11-9(3-1)8-14(13-11)10-5-6-12-7-10/h1-4,8,10,12H,5-7H2
InChIKey
NWUKPFQBZMIMIC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.26
TPSA
29.85

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.2
Consensus LogP
1.38
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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