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CAS 1443538-32-6 (2S)-2-(2,5-Difluorophenyl)-1-[(S)-(1,1-dimethylethyl)sulfinyl]pyrrolidine molecular structure lightbox
CAS RN: 1443538-32-6

(2S)-2-(2,5-Difluorophenyl)-1-[(S)-(1,1-dimethylethyl)sulfinyl]pyrrolidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1443538-32-6
  • Purity/Analytical Methods: >99.0%
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1443538-32-6 / (2S)-1-[(S)-tert-butylsulfinyl]-2-(2,5-difluorophenyl)pyrrolidine

Standard CAS: 1443538-32-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1443538-32-6
Multi CAS
No
Molecular Formula
C14H19F2NOS
Molecular Weight
287.370000
Exact Mass
287.115542
SMILES
CC(C)(C)[S@](=O)N1CCC[C@H]1C2=C(C=CC(=C2)F)F
InChI
InChI=1S/C14H19F2NOS/c1-14(2,3)19(18)17-8-4-5-13(17)11-9-10(15)6-7-12(11)16/h6-7,9,13H,4-5,8H2,1-3H3/t13-,19-/m0/s1
InChIKey
KNGQIERPRIBUMA-DJJJIMSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
72.93
TPSA
20.31

LogP / Solubility

WLOGP
3.56
MLOGP
3.15
XLogP3
3.1
Consensus LogP
3.27
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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