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CAS 53135-24-3 4-HYDROXY-2-METHYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 53135-24-3

4-HYDROXY-2-METHYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-160337
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 53135-24-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

53135-24-3 / ethyl 2-methyl-6-oxo-1H-pyrimidine-5-carboxylate

Standard CAS: 53135-24-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53135-24-3
Multi CAS
Yes
Molecular Formula
C8H10N2O3
Molecular Weight
182.180000
Exact Mass
182.069142
InChI
InChI=1S/C8H10N2O3/c1-3-13-8(12)6-4-9-5(2)10-7(6)11/h4H,3H2,1-2H3,(H,9,10,11)
InChIKey
KTZQDIINDVWLES-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
H-bond donors
1
Molar refractivity
45.55
TPSA
72.05

LogP / Solubility

WLOGP
0.26
MLOGP
0.22
XLogP3
-0.3
Consensus LogP
0.06
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-3.65

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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