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CAS 1202237-87-3 2-[(2S)-2-amino-3-(3-fluorophenyl)propyl]-1H-isoindole-1,3(2H)-dione hydrochloride molecular structure lightbox
CAS RN: 1202237-87-3

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

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260104 100mg In stock Shanghai Inquiry
Batchno.20250216 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260426 1g Out of stock Inquiry
Batchno.20251118 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1202237-87-3
  • Purity/Analytical Methods: >99.0%
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1202237-87-3 / 2-[(2S)-2-amino-3-(3-fluorophenyl)propyl]isoindole-1,3-dione;hydrochloride

2-[(2S)-2-amino-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride | 2-((2S)-2-amino-3-(3-fluorophenyl)propyl)-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride | RefChem:447908

Standard CAS: 1202237-87-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1202237-87-3
Multi CAS
Yes
Molecular Formula
C17H16ClFN2O2
Molecular Weight
334.800000
Exact Mass
334.088434
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C[C@H](CC3=CC(=CC=C3)F)N.Cl
InChI
InChI=1S/C17H15FN2O2.ClH/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;1H/t13-;/m0./s1
InChIKey
MTQPITVUQOQCSL-ZOWNYOTGSA-N
Synonyms
2-[(2S)-2-amino-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride 2-((2S)-2-amino-3-(3-fluorophenyl)propyl)-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride RefChem:447908 982-365-4 (S)-2-(2-Amino-3-(3-fluorophenyl)propyl)isoindoline-1,3-dione hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.14
TPSA
63.4

LogP / Solubility

WLOGP
2.41
MLOGP
2.14
XLogP3
2.41
Consensus LogP
2.32
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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