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CAS 212650-39-0 2,6-Dichloro-4-pyriMidinepropanoic Acid molecular structure lightbox
CAS RN: 212650-39-0

2,6-Dichloro-4-pyriMidinepropanoic Acid

  • Product code: SSC-101590
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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, 1g, 0.25g, 5g
  • Available purity: ≥95%
  • 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 212650-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

212650-39-0 / 3-(2,6-dichloropyrimidin-4-yl)propanoic acid

Standard CAS: 212650-39-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212650-39-0
Multi CAS
No
Molecular Formula
C7H6Cl2N2O2
Molecular Weight
221.040000
Exact Mass
219.980633
SMILES
C1=C(N=C(N=C1Cl)Cl)CCC(=O)O
InChI
InChI=1S/C7H6Cl2N2O2/c8-5-3-4(1-2-6(12)13)10-7(9)11-5/h3H,1-2H2,(H,12,13)
InChIKey
JNJOJPVJDFNUNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.01
TPSA
63.08

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
1.9
Consensus LogP
1.76
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.79

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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