CAS RN: 89108-45-2
5-Chloronaphthalene-2-sulfonyl 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.20250801 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS89108-45-2
- Purity/Analytical Methods: >99.0%
89108-45-2 / 5-chloronaphthalene-2-sulfonyl chloride
Basic Information
CAS
89108-45-2
Multi CAS
No
Molecular Formula
C10H6CL2O2S
Molecular Weight
261.120000
Exact Mass
259.946556
InChI
InChI=1S/C10H6Cl2O2S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H
InChIKey
MICVPVPQQNFKGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62
TPSA
34.14
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
4
Consensus LogP
3.48
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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)
-1.88
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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