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CAS 23012-23-9 5-Oxazolecarboxylicacid,4-methyl-,methylester(6CI,8CI,9CI) molecular structure lightbox
CAS RN: 23012-23-9

5-Oxazolecarboxylicacid,4-methyl-,methylester(6CI,8CI,9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250910 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS23012-23-9
  • Purity/Analytical Methods: >99.0%
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23012-23-9 / methyl 4-methyl-1,3-oxazole-5-carboxylate

Standard CAS: 23012-23-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23012-23-9
Multi CAS
No
Molecular Formula
C6H7NO3
Molecular Weight
141.120000
Exact Mass
141.042593
SMILES
CC1=C(OC=N1)C(=O)OC
InChI
InChI=1S/C6H7NO3/c1-4-5(6(8)9-2)10-3-7-4/h3H,1-2H3
InChIKey
KVFDVYINMDSCGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
32.58
TPSA
52.33

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.9
Consensus LogP
0.78
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.03

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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