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CAS 4320-90-5 2H-1,2,3 TRIAZOLE-2-ACETIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 4320-90-5

2H-1,2,3 TRIAZOLE-2-ACETIC ACID ETHYL ESTER

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250306 100mg In stock Shanghai Inquiry
Batchno.20250522 1g In stock Shanghai Inquiry
Batchno.20250617 250mg In stock Shanghai Inquiry
Batchno.20250226 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4320-90-5
  • Purity/Analytical Methods: >99.0%
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4320-90-5 / ethyl 2-(triazol-2-yl)acetate

Standard CAS: 4320-90-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4320-90-5
Multi CAS
Yes
Molecular Formula
C6H9N3O2
Molecular Weight
155.150000
Exact Mass
155.069477
InChI
InChI=1S/C6H9N3O2/c1-2-11-6(10)5-9-7-3-4-8-9/h3-4H,2,5H2,1H3
InChIKey
UJNRKJQCBKSOCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
36.66
TPSA
57.01

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.15
XLogP3
0.6
Consensus LogP
0.1
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
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)
-3.78

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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