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CAS 865077-08-3 METHYL 4-HYDROXY-2-METHYL-5-PYRIMIDINECARBOXYLATE molecular structure lightbox
CAS RN: 865077-08-3

METHYL 4-HYDROXY-2-METHYL-5-PYRIMIDINECARBOXYLATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS865077-08-3
  • Purity/Analytical Methods: >99.0%
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865077-08-3 / methyl 2-methyl-6-oxo-1H-pyrimidine-5-carboxylate

Standard CAS: 865077-08-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
865077-08-3
Multi CAS
Yes
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
InChI
InChI=1S/C7H8N2O3/c1-4-8-3-5(6(10)9-4)7(11)12-2/h3H,1-2H3,(H,8,9,10)
InChIKey
BDSFRMOXNBWRLK-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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