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CAS RN: 1354018-70-4
3-Fluoro-N-(S)-pyrrolidin-3-yl-benzenesulfonaMide 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.20250223 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1354018-70-4
- Purity/Analytical Methods: >99.0%
1354018-70-4 / 3-fluoro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide;hydrochloride
Basic Information
CAS
1354018-70-4
Multi CAS
No
Molecular Formula
C10H14ClFN2O2S
Molecular Weight
280.750000
Exact Mass
280.044855
SMILES
C1CNC[C@H]1NS(=O)(=O)C2=CC=CC(=C2)F.Cl
InChI
InChI=1S/C10H13FN2O2S.ClH/c11-8-2-1-3-10(6-8)16(14,15)13-9-4-5-12-7-9;/h1-3,6,9,12-13H,4-5,7H2;1H/t9-;/m0./s1
InChIKey
IJUWIMKKPWSHHY-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.24
TPSA
58.2
LogP / Solubility
WLOGP
0.89
MLOGP
0.79
XLogP3
0.89
Consensus LogP
0.86
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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