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CAS 103141-09-9 FPL 62064 molecular structure lightbox
CAS RN: 103141-09-9

FPL 62064

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6 package records5 with current stock2 grade groups
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Batchno.20251122 1ml In stock Inquiry
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  • Product code: starshine_CAS103141-09-9
  • Purity/Analytical Methods: >99.0%
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103141-09-9 / N-(4-methoxyphenyl)-1-phenylpyrazol-3-amine

Standard CAS: 103141-09-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103141-09-9
Multi CAS
No
Molecular Formula
C16H15N3O
Molecular Weight
265.310000
Exact Mass
265.121512
SMILES
COC1=CC=C(C=C1)NC2=NN(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3O/c1-20-15-9-7-13(8-10-15)17-16-11-12-19(18-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)
InChIKey
WKLGNFJHVJIZPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.84
TPSA
39.08

LogP / Solubility

WLOGP
3.62
MLOGP
3.2
XLogP3
3.7
Consensus LogP
3.51
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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