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CAS RN: 1353995-46-6
(R)-1-(2,4-Dichloro-benzenesulfonyl)-pyrrolidin-3-ol
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.20260625 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353995-46-6
- Purity/Analytical Methods: >99.0%
1353995-46-6 / (3R)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
Basic Information
CAS
1353995-46-6
Multi CAS
No
Molecular Formula
C10H11Cl2NO3S
Molecular Weight
296.170000
Exact Mass
294.983670
SMILES
C1CN(C[C@@H]1O)S(=O)(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H11Cl2NO3S/c11-7-1-2-10(9(12)5-7)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6H2/t8-/m1/s1
InChIKey
ARBNZEUQGBOYNU-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.84
TPSA
57.61
LogP / Solubility
WLOGP
1.75
MLOGP
1.55
XLogP3
1.8
Consensus LogP
1.7
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29
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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![CAS 1353998-32-9 (S)-1-[1-(3-Fluoro-benzyl)-1H-benzoiMidazol-2-yl]-pyrrolidin-3-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62575593(1).gif)
![CAS 1353999-43-5 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid (R)-pyrrolidin-3-ylaMide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12578625(1).gif)
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