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CAS 34171-43-2 CHEMBRDG-BB 4016714 molecular structure lightbox
CAS RN: 34171-43-2

CHEMBRDG-BB 4016714

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260201 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS34171-43-2
  • Purity/Analytical Methods: >99.0%
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34171-43-2 / 2-chloro-N,N,5-trimethylpyrimidin-4-amine

Standard CAS: 34171-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34171-43-2
Multi CAS
No
Molecular Formula
C7H10CLN3
Molecular Weight
171.630000
Exact Mass
171.056325
InChI
InChI=1S/C7H10ClN3/c1-5-4-9-7(8)10-6(5)11(2)3/h4H,1-3H3
InChIKey
OMPXZZNLSYCISQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.11
TPSA
29.02

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
2
Consensus LogP
1.61
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-2.7

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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