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CAS 2006277-92-3 2,6-Dichloro-5-fluoropyrimidine-4-carboxamide molecular structure lightbox
CAS RN: 2006277-92-3

2,6-Dichloro-5-fluoropyrimidine-4-carboxamide

  • Product code: SSC-094537
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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, 0.25g, 1g
  • Available purity: ≥94%
  • Inventory rows with stock: 1
  • 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 2006277-92-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥94% 1 In Stock Beijing Inquiry
0.25g ≥94% 0 Out of Stock Shenzhen Inquiry
1g ≥94% 0 Out of Stock Beijing Inquiry

2006277-92-3 / 2,6-dichloro-5-fluoropyrimidine-4-carboxamide

Standard CAS: 2006277-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006277-92-3
Multi CAS
No
Molecular Formula
C5H2Cl2FN3O
Molecular Weight
209.990000
Exact Mass
208.955895
SMILES
C1(=C(N=C(N=C1Cl)Cl)C(=O)N)F
InChI
InChI=1S/C5H2Cl2FN3O/c6-3-1(8)2(4(9)12)10-5(7)11-3/h(H2,9,12)
InChIKey
AOSMAWWYJCZHGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.53
TPSA
68.87

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
1.4
Consensus LogP
1.11
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-3.28

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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