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CAS 70254-52-3 Ethyl 2,4-Dihydroxy-6-methylnicotinate molecular structure lightbox
CAS RN: 70254-52-3

Ethyl 2,4-Dihydroxy-6-methylnicotinate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: ICTE0869
  • Purity/Analytical Methods: >98.0%(GC)(T)
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70254-52-3 / ethyl 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate

Standard CAS: 70254-52-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70254-52-3
Multi CAS
Yes
Molecular Formula
C9H11NO4
Molecular Weight
197.190000
Exact Mass
197.068808
InChI
InChI=1S/C9H11NO4/c1-3-14-9(13)7-6(11)4-5(2)10-8(7)12/h4H,3H2,1-2H3,(H2,10,11,12)
InChIKey
CMCZAWPDHHYFPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.42
TPSA
79.39

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.9
Consensus LogP
0.66
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

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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