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CAS 265328-14-1 ETHYL 2-CHLORO-6-METHYLPYRIMIDINE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 265328-14-1

ETHYL 2-CHLORO-6-METHYLPYRIMIDINE-4-CARBOXYLATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250509 1g / 5g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS265328-14-1
  • Purity/Analytical Methods: >99.0%
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265328-14-1 / ethyl 2-chloro-6-methylpyrimidine-4-carboxylate

Standard CAS: 265328-14-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
265328-14-1
Multi CAS
No
Molecular Formula
C8H9ClN2O2
Molecular Weight
200.620000
Exact Mass
200.035255
SMILES
CCOC(=O)C1=NC(=NC(=C1)C)Cl
InChI
InChI=1S/C8H9ClN2O2/c1-3-13-7(12)6-4-5(2)10-8(9)11-6/h4H,3H2,1-2H3
InChIKey
KXYPJIQULMYRSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
47.74
TPSA
52.08

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
2.1
Consensus LogP
1.71
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.8

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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