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CAS 2231673-46-2 (1-methylpyrazol-3-yl)methylhydrazine dihydrochloride molecular structure lightbox
CAS RN: 2231673-46-2

(1-methylpyrazol-3-yl)methylhydrazine dihydrochloride

  • Product code: SSC-108830
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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 2231673-46-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

2231673-46-2 / (1-methylpyrazol-3-yl)methylhydrazine;dihydrochloride

Standard CAS: 2231673-46-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2231673-46-2
Multi CAS
No
Molecular Formula
C5H12Cl2N4
Molecular Weight
199.080000
Exact Mass
198.043902
SMILES
CN1C=CC(=N1)CNN.Cl.Cl
InChI
InChI=1S/C5H10N4.2ClH/c1-9-3-2-5(8-9)4-7-6;;/h2-3,7H,4,6H2,1H3;2*1H
InChIKey
QOCQLWVTLBVMBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.73
TPSA
55.87

LogP / Solubility

WLOGP
0.23
MLOGP
0.2
XLogP3
0.23
Consensus LogP
0.22
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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