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CAS RN: 1354018-64-6
2,4-Dichloro-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.20260224 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1354018-64-6
- Purity/Analytical Methods: >99.0%
1354018-64-6 / 2,4-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide;hydrochloride
Basic Information
CAS
1354018-64-6
Multi CAS
No
Molecular Formula
C10H13Cl3N2O2S
Molecular Weight
331.600000
Exact Mass
329.976332
SMILES
C1CNC[C@H]1NS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl.Cl
InChI
InChI=1S/C10H12Cl2N2O2S.ClH/c11-7-1-2-10(9(12)5-7)17(15,16)14-8-3-4-13-6-8;/h1-2,5,8,13-14H,3-4,6H2;1H/t8-;/m0./s1
InChIKey
VXGOKDCIPCUZIC-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.31
TPSA
58.2
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28
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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