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CAS 1172860-88-6 2-(2-Methoxy-Ethyl)-2H-Pyrazole-3-Carboxylic Acid Methyl Ester molecular structure lightbox
CAS RN: 1172860-88-6

2-(2-Methoxy-Ethyl)-2H-Pyrazole-3-Carboxylic Acid Methyl Ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251217 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1172860-88-6
  • Purity/Analytical Methods: >99.0%
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1172860-88-6 / methyl 2-(2-methoxyethyl)pyrazole-3-carboxylate

methyl 1-(2-methoxyethyl)-1H-pyrazole-5-carboxylate | 2-(2-METHOXY-ETHYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER | methyl 2-(2-methoxyethyl)pyrazole-3-carboxylate

Standard CAS: 1172860-88-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1172860-88-6
Multi CAS
No
Molecular Formula
C8H12N2O3
Molecular Weight
184.190000
Exact Mass
184.084792
SMILES
COCCN1C(=CC=N1)C(=O)OC
InChI
InChI=1S/C8H12N2O3/c1-12-6-5-10-7(3-4-9-10)8(11)13-2/h3-4H,5-6H2,1-2H3
InChIKey
FKCSNMIYNCLBCG-UHFFFAOYSA-N
Synonyms
methyl 1-(2-methoxyethyl)-1H-pyrazole-5-carboxylate 2-(2-METHOXY-ETHYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER methyl 2-(2-methoxyethyl)pyrazole-3-carboxylate MFCD09473508 methyl 1-(2-methoxyethyl)pyrazole-5-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
45.44
TPSA
53.35

LogP / Solubility

WLOGP
0.32
MLOGP
0.28
XLogP3
0.2
Consensus LogP
0.27
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.62

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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