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CAS 1422365-94-3 IM156 molecular structure lightbox
CAS RN: 1422365-94-3

IM156

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Batchno.20250606 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1422365-94-3
  • Purity/Analytical Methods: >99.0%
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1422365-94-3 / acetic acid;N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide

Standard CAS: 1422365-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1422365-94-3
Multi CAS
No
Molecular Formula
C15H20F3N5O3
Molecular Weight
375.350000
Exact Mass
375.151824
SMILES
CC(=O)O.C1CCN(C1)/C(=N/C(=NC2=CC=C(C=C2)OC(F)(F)F)N)/N
InChI
InChI=1S/C13H16F3N5O.C2H4O2/c14-13(15,16)22-10-5-3-9(4-6-10)19-11(17)20-12(18)21-7-1-2-8-21;1-2(3)4/h3-6H,1-2,7-8H2,(H4,17,18,19,20);1H3,(H,3,4)
InChIKey
AGFDCTOLSXWRDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
90.15
TPSA
126.53

LogP / Solubility

WLOGP
2.03
MLOGP
1.81
XLogP3
2.03
Consensus LogP
1.96
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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