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CAS 1210859-27-0 (2S)-2-(2-FLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1210859-27-0

(2S)-2-(2-FLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1210859-27-0
  • Purity/Analytical Methods: >99.0%
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1210859-27-0 / (2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride

2-(2-fluorophenyl)pyrrolidine hydrochloride | MFCD08456900 | 2-(2-Fluoro-phenyl)-pyrrolidine hydrochloride

Standard CAS: 1210859-27-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1210859-27-0
Multi CAS
Yes
Molecular Formula
C10H13ClFN
Molecular Weight
201.670000
Exact Mass
201.072055
SMILES
C1C[C@H](NC1)C2=CC=CC=C2F.Cl
InChI
InChI=1S/C10H12FN.ClH/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;/h1-2,4-5,10,12H,3,6-7H2;1H/t10-;/m0./s1
InChIKey
IPMVOKVJJJVBGC-PPHPATTJSA-N
Synonyms
2-(2-fluorophenyl)pyrrolidine hydrochloride MFCD08456900 2-(2-Fluoro-phenyl)-pyrrolidine hydrochloride SCHEMBL839085 72216-04-7 (non-salt)

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.63
TPSA
12.03

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
2.67
Consensus LogP
2.56
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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