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CAS RN: 1353995-35-3
(S)-3-(4-Fluoro-phenylsulfanyl)-pyrrolidine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251008 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1353995-35-3
- Purity/Analytical Methods: >99.0%
1353995-35-3 / (3S)-3-(4-fluorophenyl)sulfanylpyrrolidine;hydrochloride
Basic Information
CAS
1353995-35-3
Multi CAS
No
Molecular Formula
C10H13ClFNS
Molecular Weight
233.730000
Exact Mass
233.044126
SMILES
C1CNC[C@H]1SC2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C10H12FNS.ClH/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10;/h1-4,10,12H,5-7H2;1H/t10-;/m0./s1
InChIKey
BXLVMMWEVIZWRO-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.78
TPSA
12.03
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.23
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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