CAS RN: 17407-98-6
2-ANTHRACENESULFONYL 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.20250420 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS17407-98-6
- Purity/Analytical Methods: >99.0%
17407-98-6 / anthracene-2-sulfonyl chloride
Basic Information
CAS
17407-98-6
Multi CAS
No
Molecular Formula
C14H9ClO2S
Molecular Weight
276.700000
Exact Mass
276.001178
SMILES
C1=CC=C2C=C3C=C(C=CC3=CC2=C1)S(=O)(=O)Cl
InChI
InChI=1S/C14H9ClO2S/c15-18(16,17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChIKey
FZAQROFXYZPAKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
74.49
TPSA
34.14
LogP / Solubility
WLOGP
3.92
MLOGP
3.46
XLogP3
3.2
Consensus LogP
3.53
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
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