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CAS 899899-20-8 1H-Pyrazol-3-amine,1-(2-methoxyethyl)-(9CI) molecular structure lightbox
CAS RN: 899899-20-8

1H-Pyrazol-3-amine,1-(2-methoxyethyl)-(9CI)

  • Product code: SSC-202253
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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 899899-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

899899-20-8 / 1-(2-methoxyethyl)pyrazol-3-amine

Standard CAS: 899899-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
899899-20-8
Multi CAS
No
Molecular Formula
C6H11N3O
Molecular Weight
141.170000
Exact Mass
141.090212
InChI
InChI=1S/C6H11N3O/c1-10-5-4-9-3-2-6(7)8-9/h2-3H,4-5H2,1H3,(H2,7,8)
InChIKey
CIZWSGSWDKEWQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.52
TPSA
53.07

LogP / Solubility

WLOGP
0.11
MLOGP
0.09
XLogP3
-0.3
Consensus LogP
-0.03
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
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)
-3.5

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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