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CAS 1371591-51-3 Firuglipel molecular structure lightbox
CAS RN: 1371591-51-3

Firuglipel

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Batchno.20250822 1mg Out of stock Inquiry
  • Product code: starshine_CAS1371591-51-3
  • Purity/Analytical Methods: >99.0%
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1371591-51-3 / 4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide

Standard CAS: 1371591-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1371591-51-3
Multi CAS
No
Molecular Formula
C25H26FN3O5
Molecular Weight
467.500000
Exact Mass
467.185649
SMILES
CC[C@H](C1=NC(=NO1)C2=CC(=C(C=C2)C(=O)N[C@H](C)CO)F)OC3=CC=C(C=C3)C(=O)C4CC4
InChI
InChI=1S/C25H26FN3O5/c1-3-21(33-18-9-6-16(7-10-18)22(31)15-4-5-15)25-28-23(29-34-25)17-8-11-19(20(26)12-17)24(32)27-14(2)13-30/h6-12,14-15,21,30H,3-5,13H2,1-2H3,(H,27,32)/t14-,21-/m1/s1
InChIKey
LRXRIKVDAVVQCP-SPLOXXLWSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
17
Fraction Csp3
0.36
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
2
Molar refractivity
120.86
TPSA
114.55

LogP / Solubility

WLOGP
4.11
MLOGP
3.65
XLogP3
3.5
Consensus LogP
3.75
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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