CAS RN: 13354-17-1
9H-fluorene-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.20260620 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS13354-17-1
- Purity/Analytical Methods: >99.0%
13354-17-1 / 9H-fluorene-2-sulfonyl chloride
Basic Information
CAS
13354-17-1
Multi CAS
No
Molecular Formula
C13H9ClO2S
Molecular Weight
264.730000
Exact Mass
264.001178
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)S(=O)(=O)Cl
InChI
InChI=1S/C13H9ClO2S/c14-17(15,16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKey
OOCRPNTZVSMEIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
67.72
TPSA
34.14
LogP / Solubility
WLOGP
3.19
MLOGP
2.81
XLogP3
3.8
Consensus LogP
3.27
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
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)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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
Customers Also Viewed
-
FLUOREN-9-ONE-2,7-DISULFONYL CHLORIDE
- CAS RN: 13354-21-7
- Product Code: starshine_CAS13354-21-7
- Purity/Analytical method: >99.0%
-
-
DIBUTYLCARBAMYL CHLORIDE
- CAS RN: 13358-73-1
- Product Code: starshine_CAS13358-73-1
- Purity/Analytical method: >99.0%
-
-
-
