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CAS 355829-23-1 2-CHLORO-4-(DIMETHYLAMINO)-5-FLUOROPYRIMIDINE molecular structure lightbox
CAS RN: 355829-23-1

2-CHLORO-4-(DIMETHYLAMINO)-5-FLUOROPYRIMIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250221 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS355829-23-1
  • Purity/Analytical Methods: >99.0%
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355829-23-1 / 2-chloro-5-fluoro-N,N-dimethylpyrimidin-4-amine

Standard CAS: 355829-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
355829-23-1
Multi CAS
No
Molecular Formula
C6H7CLFN3
Molecular Weight
175.590000
Exact Mass
175.031253
InChI
InChI=1S/C6H7ClFN3/c1-11(2)5-4(8)3-9-6(7)10-5/h3H,1-2H3
InChIKey
KFHFDFGUSBMVOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41.33
TPSA
29.02

LogP / Solubility

WLOGP
1.34
MLOGP
1.17
XLogP3
1.7
Consensus LogP
1.4
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.84

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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