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CAS 60419-70-7 1H-1,2,3-Triazole-4-carboxylicacid,5-methyl-,methylester(9CI) molecular structure lightbox
CAS RN: 60419-70-7

1H-1,2,3-Triazole-4-carboxylicacid,5-methyl-,methylester(9CI)

  • Product code: SSC-169006
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 60419-70-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

60419-70-7 / methyl 5-methyl-2H-triazole-4-carboxylate

Standard CAS: 60419-70-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60419-70-7
Multi CAS
No
Molecular Formula
C5H7N3O2
Molecular Weight
141.130000
Exact Mass
141.053826
InChI
InChI=1S/C5H7N3O2/c1-3-4(5(9)10-2)7-8-6-3/h1-2H3,(H,6,7,8)
InChIKey
UIAFUZFURUTFNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
32.46
TPSA
67.87

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.1
XLogP3
0.2
Consensus LogP
0.0000
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-3.65

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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