CAS RN: 192329-81-0
4-(4-pyridyloxy)benzenesulfonyl chloride
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.20250814 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS192329-81-0
- Purity/Analytical Methods: >99.0%
192329-81-0 / 4-pyridin-4-yloxybenzenesulfonyl chloride
Basic Information
CAS
192329-81-0
Multi CAS
No
Molecular Formula
C11H8ClNO3S
Molecular Weight
269.700000
Exact Mass
268.991342
SMILES
C1=CC(=CC=C1OC2=CC=NC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H8ClNO3S/c12-17(14,15)11-3-1-9(2-4-11)16-10-5-7-13-8-6-10/h1-8H
InChIKey
FFFLYOYQSHCTRS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
63.79
TPSA
56.26
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
2.4
Consensus LogP
2.56
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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