CAS RN: 154479-90-0
(+)-1-(9-FLUORENYL)ETHYL CHLOROFORMATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260205 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS154479-90-0
- Purity/Analytical Methods: >99.0%
154479-90-0 / 1-(9H-fluoren-9-yl)ethyl carbonochloridate
Basic Information
CAS
154479-90-0
Multi CAS
No
Molecular Formula
C16H13ClO2
Molecular Weight
272.720000
Exact Mass
272.060407
SMILES
CC(C1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)Cl
InChI
InChI=1S/C16H13ClO2/c1-10(19-16(17)18)15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-10,15H,1H3
InChIKey
SFRVOKMRHPQYGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
75.52
TPSA
26.3
LogP / Solubility
WLOGP
4.56
MLOGP
4.02
XLogP3
4.7
Consensus LogP
4.43
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
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)
-1.14
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
2
Safety & Transport
Pictogram(s)
Corrosive
Acute Toxic
Signal
Danger
GHS Hazard Statements
H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317
P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501
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