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CAS 107474-79-3 (+)-1-(9-FLUORENYL)ETHYL CHLOROFORMATE molecular structure lightbox
CAS RN: 107474-79-3

(+)-1-(9-FLUORENYL)ETHYL CHLOROFORMATE

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Batchno.20260521 100mg In stock Shanghai Inquiry
Batchno.20250109 1g In stock Shanghai Inquiry
Batchno.20260421 250mg In stock Shanghai Inquiry
Batchno.20250214 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS107474-79-3
  • Purity/Analytical Methods: >99.0%
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107474-79-3 / 1-(9H-fluoren-9-yl)ethyl carbonochloridate

FLEC | 1-(9-Fluorenyl)ethyl chloroformate | RefChem:74604

Standard CAS: 107474-79-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107474-79-3
Multi CAS
Yes
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
Synonyms
FLEC 1-(9-Fluorenyl)ethyl chloroformate RefChem:74604 621-989-0 (+)-1-(9-FLUORENYL)ETHYL CHLOROFORMATE

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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