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CAS 1374760-95-8 2-(4-METHYLPHENOXY)-N-(1H-PYRAZOL-3-YL)-N-(THIOPHEN-2-YLMETHYL)ACETAMIDE molecular structure lightbox
CAS RN: 1374760-95-8

2-(4-METHYLPHENOXY)-N-(1H-PYRAZOL-3-YL)-N-(THIOPHEN-2-YLMETHYL)ACETAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250210 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1374760-95-8
  • Purity/Analytical Methods: >99.0%
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1374760-95-8 / 2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide

Standard CAS: 1374760-95-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1374760-95-8
Multi CAS
No
Molecular Formula
C17H17N3O2S
Molecular Weight
327.400000
Exact Mass
327.104148
SMILES
CC1=CC=C(C=C1)OCC(=O)N(CC2=CC=CS2)C3=CC=NN3
InChI
InChI=1S/C17H17N3O2S/c1-13-4-6-14(7-5-13)22-12-17(21)20(16-8-9-18-19-16)11-15-3-2-10-23-15/h2-10H,11-12H2,1H3,(H,18,19)
InChIKey
QGDQESUNCJQMSA-UHFFFAOYSA-N

Physical Properties

Physical Description
White to off-white solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.77
TPSA
58.22

LogP / Solubility

WLOGP
3.39
MLOGP
3
XLogP3
3.2
Consensus LogP
3.2
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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