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CAS 6647-89-8 Methyl (4-amino-1H-pyrazol-1-yl)acetate hydrochloride molecular structure lightbox
CAS RN: 6647-89-8

Methyl (4-amino-1H-pyrazol-1-yl)acetate hydrochloride

  • Product code: SSC-176157
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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 6647-89-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

6647-89-8 / methyl 2-(4-aminopyrazol-1-yl)acetate;hydrochloride

Standard CAS: 6647-89-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6647-89-8
Multi CAS
No
Molecular Formula
C6H10CLN3O2
Molecular Weight
191.610000
Exact Mass
191.046154
InChI
InChI=1S/C6H9N3O2.ClH/c1-11-6(10)4-9-3-5(7)2-8-9;/h2-3H,4,7H2,1H3;1H
InChIKey
LUOVVLLUZBQJTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
45.9
TPSA
70.14

LogP / Solubility

WLOGP
0.06
MLOGP
0.05
XLogP3
0.06
Consensus LogP
0.06
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.85

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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