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CAS 96286-02-1 5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONITRILE molecular structure lightbox
CAS RN: 96286-02-1

5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONITRILE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250104 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-211949
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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, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 96286-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Hong Kong Inquiry

96286-02-1 / 5-chloro-1,3-dimethylpyrazole-4-carbonitrile

Standard CAS: 96286-02-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96286-02-1
Multi CAS
No
Molecular Formula
C6H6CLN3
Molecular Weight
155.580000
Exact Mass
155.025025
InChI
InChI=1S/C6H6ClN3/c1-4-5(3-8)6(7)10(2)9-4/h1-2H3
InChIKey
BVSBKLHMMUZYKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
37.67
TPSA
41.61

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
1.3
Consensus LogP
1.22
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-2.78

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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