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CAS 943325-38-0 2-[(2S)-2-Amino-3-(3-fluorophenyl)propyl]-1H-isoindole-1,3(2H)-dione molecular structure lightbox
CAS RN: 943325-38-0

2-[(2S)-2-Amino-3-(3-fluorophenyl)propyl]-1H-isoindole-1,3(2H)-dione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS943325-38-0
  • Purity/Analytical Methods: >99.0%
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943325-38-0 / 2-[(2S)-2-amino-3-(3-fluorophenyl)propyl]isoindole-1,3-dione

Standard CAS: 943325-38-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
943325-38-0
Multi CAS
Yes
Molecular Formula
C17FH15N2O2
Molecular Weight
298.310000
Exact Mass
298.111756
InChI
InChI=1S/C17H15FN2O2/c18-12-5-3-4-11(8-12)9-13(19)10-20-16(21)14-6-1-2-7-15(14)17(20)22/h1-8,13H,9-10,19H2/t13-/m0/s1
InChIKey
VMLDWVQVTSBBHQ-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.89
TPSA
63.4

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
2.1
Consensus LogP
1.95
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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