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CAS 82989-25-1 TAZANOLAST molecular structure lightbox
CAS RN: 82989-25-1

TAZANOLAST

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS82989-25-1
  • Purity/Analytical Methods: >99.0%
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82989-25-1 / butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate

Standard CAS: 82989-25-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82989-25-1
Multi CAS
Yes
Molecular Formula
C13H15N5O3
Molecular Weight
289.290000
Exact Mass
289.117489
InChI
InChI=1S/C13H15N5O3/c1-2-3-7-21-13(20)12(19)14-10-6-4-5-9(8-10)11-15-17-18-16-11/h4-6,8H,2-3,7H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKey
XQTARQNQIVVBRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
74.11
TPSA
109.86

LogP / Solubility

WLOGP
1.15
MLOGP
1.02
XLogP3
1.8
Consensus LogP
1.32
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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