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CAS 70227-50-8 2-(tert-Butyl)-4-chloro-5-nitropyriMidine molecular structure lightbox
CAS RN: 70227-50-8

2-(tert-Butyl)-4-chloro-5-nitropyriMidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS70227-50-8
  • Purity/Analytical Methods: >99.0%
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70227-50-8 / 2-tert-butyl-4-chloro-5-nitropyrimidine

Standard CAS: 70227-50-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70227-50-8
Multi CAS
No
Molecular Formula
C8H10CLN3O2
Molecular Weight
215.640000
Exact Mass
215.046154
InChI
InChI=1S/C8H10ClN3O2/c1-8(2,3)7-10-4-5(12(13)14)6(9)11-7/h4H,1-3H3
InChIKey
WRWLLLIIGUUHCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
52.4
TPSA
68.92

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.7
Consensus LogP
2.37
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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