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CAS 684220-30-2 4,6-dichloro-2-Pyrimidinecarboxylic acid molecular structure lightbox
CAS RN: 684220-30-2

4,6-dichloro-2-Pyrimidinecarboxylic acid

  • Product code: SSC-178163
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 684220-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

684220-30-2 / 4,6-dichloropyrimidine-2-carboxylic acid

Standard CAS: 684220-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
684220-30-2
Multi CAS
No
Molecular Formula
C5H2CL2N2O2
Molecular Weight
192.980000
Exact Mass
191.949333
InChI
InChI=1S/C5H2Cl2N2O2/c6-2-1-3(7)9-4(8-2)5(10)11/h1H,(H,10,11)
InChIKey
XTPRJRYOVQDBID-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

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