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CAS 64532-22-5 6-HYDROXY-2-METHYLPYRIMIDINE-4-ACETIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 64532-22-5

6-HYDROXY-2-METHYLPYRIMIDINE-4-ACETIC ACID METHYL ESTER

  • Product code: SSC-174274
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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: 1g
  • 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 64532-22-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

64532-22-5 / methyl 2-methyl-6-oxo-1H-pyrimidine-4-carboxylate

Standard CAS: 64532-22-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64532-22-5
Multi CAS
Yes
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
InChI
InChI=1S/C7H8N2O3/c1-4-8-5(7(11)12-2)3-6(10)9-4/h3H,1-2H3,(H,8,9,10)
InChIKey
CPLVELXMGCYDLH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.93
TPSA
72.05

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.12
XLogP3
-0.7
Consensus LogP
-0.32
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very 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)
-3.84

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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