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CAS 1259059-71-6 Ethanone, 1-(2-chlorophenyl)-2-(2H-tetrazol-2-yl)- molecular structure lightbox
CAS RN: 1259059-71-6

Ethanone, 1-(2-chlorophenyl)-2-(2H-tetrazol-2-yl)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250215 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-031280
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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: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 1259059-71-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1259059-71-6 / 1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanone

Standard CAS: 1259059-71-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1259059-71-6
Multi CAS
No
Molecular Formula
C9H7ClN4O
Molecular Weight
222.630000
Exact Mass
222.030839
SMILES
C1=CC=C(C(=C1)C(=O)CN2N=CN=N2)Cl
InChI
InChI=1S/C9H7ClN4O/c10-8-4-2-1-3-7(8)9(15)5-14-12-6-11-13-14/h1-4,6H,5H2
InChIKey
SLILCNKDGFOZOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
53.6
TPSA
60.67

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
2.3
Consensus LogP
1.53
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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