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CAS 1073556-40-7 (S)-2-(4-FLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1073556-40-7

(S)-2-(4-FLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1073556-40-7
  • Purity/Analytical Methods: >99.0%
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1073556-40-7 / (2S)-2-(4-fluorophenyl)pyrrolidine;hydrochloride

2-(4-FLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE | 2-(4-fluorophenyl)pyrrolidinehydrochloride | (2S)-2-(4-Fluorophenyl)pyrrolidine hydrochloride

Standard CAS: 1073556-40-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1073556-40-7
Multi CAS
Yes
Molecular Formula
C10H13ClFN
Molecular Weight
201.670000
Exact Mass
201.072055
SMILES
C1C[C@H](NC1)C2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C10H12FN.ClH/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;/h3-6,10,12H,1-2,7H2;1H/t10-;/m0./s1
InChIKey
WOZFKQCJNIDQPL-PPHPATTJSA-N
Synonyms
2-(4-FLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE 2-(4-fluorophenyl)pyrrolidinehydrochloride (2S)-2-(4-Fluorophenyl)pyrrolidine hydrochloride SCHEMBL3335334 AKOS015933594

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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