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CAS 1780-32-1 2,4-Dichloro-5,6-dimethylpyrimidine molecular structure lightbox
CAS RN: 1780-32-1

2,4-Dichloro-5,6-dimethylpyrimidine

  • Product code: SSC-077950
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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: 5g, 10g, 25g, 0.25g, 1g, 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 1780-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 4 In Stock Shanghai Inquiry
10g >97% 2 In Stock Shenzhen Inquiry
25g >97% 2 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
100g >97% 1 In Stock Beijing Inquiry

1780-32-1 / 2,4-dichloro-5,6-dimethylpyrimidine

Standard CAS: 1780-32-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1780-32-1
Multi CAS
No
Molecular Formula
C6H6Cl2N2
Molecular Weight
177.030000
Exact Mass
175.990804
SMILES
CC1=C(N=C(N=C1Cl)Cl)C
InChI
InChI=1S/C6H6Cl2N2/c1-3-4(2)9-6(8)10-5(3)7/h1-2H3
InChIKey
BFXIDUSEHNCLTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
41.53
TPSA
25.78

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.9
Consensus LogP
2.47
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.1

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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