CAS RN: 811450-22-3
Methyl 4,6-dichloropyrimidine-2-carboxylate
- Product code: SSC-189695
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, 1g, 25g, 5g, 0.25g, 10g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 2 In Stock | Hong Kong | Inquiry |
811450-22-3 / methyl 4,6-dichloropyrimidine-2-carboxylate
Basic Information
CAS
811450-22-3
Multi CAS
No
Molecular Formula
C6H4CL2N2O2
Molecular Weight
207.010000
Exact Mass
205.964983
InChI
InChI=1S/C6H4Cl2N2O2/c1-12-6(11)5-9-3(7)2-4(8)10-5/h2H,1H3
InChIKey
PQIIRUIULSNZCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.39
TPSA
52.08
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
2.3
Consensus LogP
1.75
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.87
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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- CAS RN: 811450-82-5
- Product Code: SSC-189697
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