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CAS 1234616-52-4 6-AMINOMETHYL-2,3-DIMETHYL-2H-INDAZOLE molecular structure lightbox
CAS RN: 1234616-52-4

6-AMINOMETHYL-2,3-DIMETHYL-2H-INDAZOLE

  • Product code: SSC-027176
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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 1234616-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1234616-52-4 / (2,3-dimethylindazol-6-yl)methanamine

Standard CAS: 1234616-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1234616-52-4
Multi CAS
No
Molecular Formula
C10H13N3
Molecular Weight
175.230000
Exact Mass
175.110947
SMILES
CC1=C2C=CC(=CC2=NN1C)CN
InChI
InChI=1S/C10H13N3/c1-7-9-4-3-8(6-11)5-10(9)12-13(7)2/h3-5H,6,11H2,1-2H3
InChIKey
YSWKWJOUVUVEMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.34
TPSA
43.84

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
0.8
Consensus LogP
1.11
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

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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