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CAS 16492-28-7 METHYL 2,4-DICHLOROPYRIMIDINE-6-CARBOXYLATE molecular structure lightbox
CAS RN: 16492-28-7

METHYL 2,4-DICHLOROPYRIMIDINE-6-CARBOXYLATE

  • Product code: SSC-072080
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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
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 16492-28-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry

16492-28-7 / 2,6-dichloropyrimidine-4-carboxylic acid

Standard CAS: 16492-28-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16492-28-7
Multi CAS
No
Molecular Formula
C5H2Cl2N2O2
Molecular Weight
192.980000
Exact Mass
191.949333
SMILES
C1=C(N=C(N=C1Cl)Cl)C(=O)O
InChI
InChI=1S/C5H2Cl2N2O2/c6-3-1-2(4(10)11)8-5(7)9-3/h1H,(H,10,11)
InChIKey
MOXUTXQEKYPKKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.01
TPSA
63.08

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
2
Consensus LogP
1.59
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.85

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 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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