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CAS 1753-50-0 5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI) molecular structure lightbox
CAS RN: 1753-50-0

5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250606 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-076953
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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: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 1753-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 4 In Stock Hong Kong Inquiry
100g >97% 1 In Stock Hong Kong Inquiry

1753-50-0 / 2-chloropyrimidine-5-carbonitrile

Standard CAS: 1753-50-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1753-50-0
Multi CAS
No
Molecular Formula
C5H2ClN3
Molecular Weight
139.540000
Exact Mass
138.993725
SMILES
C1=C(C=NC(=N1)Cl)C#N
InChI
InChI=1S/C5H2ClN3/c6-5-8-2-4(1-7)3-9-5/h2-3H
InChIKey
FXQSUQZXESNFNH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
31.76
TPSA
49.57

LogP / Solubility

WLOGP
1
MLOGP
0.87
XLogP3
0.9
Consensus LogP
0.92
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-2.86

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (87.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (96.9%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (96.9%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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