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CAS 874340-08-6 N-(3-PhthaliMido-2-(R)-hydroxypropyl)-3-fluoro-4-(Morpholinyl)aniline molecular structure lightbox
CAS RN: 874340-08-6

N-(3-PhthaliMido-2-(R)-hydroxypropyl)-3-fluoro-4-(Morpholinyl)aniline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS874340-08-6
  • Purity/Analytical Methods: >99.0%
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874340-08-6 / 2-[(2R)-3-(3-fluoro-4-morpholin-4-ylanilino)-2-hydroxypropyl]isoindole-1,3-dione

Standard CAS: 874340-08-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
874340-08-6
Multi CAS
Yes
Molecular Formula
C21FH22N3O4
Molecular Weight
399.400000
Exact Mass
399.159434
InChI
InChI=1S/C21H22FN3O4/c22-18-11-14(5-6-19(18)24-7-9-29-10-8-24)23-12-15(26)13-25-20(27)16-3-1-2-4-17(16)21(25)28/h1-6,11,15,23,26H,7-10,12-13H2/t15-/m1/s1
InChIKey
UVDYUDNYSNKZRV-OAHLLOKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
105.74
TPSA
82.11

LogP / Solubility

WLOGP
1.73
MLOGP
1.55
XLogP3
1.8
Consensus LogP
1.69
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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