CAS RN: 6092-54-2
Hexyl 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.20260526 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong, Shanghai, Hebei, Guangdong | Inquiry |
- Product code: ICTC0723
- Purity/Analytical Methods: >98.0%(GC)(T)
6092-54-2 / hexyl carbonochloridate
Basic Information
CAS
6092-54-2
Multi CAS
No
Molecular Formula
C7H13CLO2
Molecular Weight
164.630000
Exact Mass
164.060407
InChI
InChI=1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
InChIKey
KIWBRXCOTCXSSZ-UHFFFAOYSA-N
Physical Properties
Boiling Point
60-61 °C at 7 mm Hg
Density
1.007
Physical Description
Colorless liquid; [HSDB]
Appearance
Clear, colorless liquid /Chloroformates/
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
41.34
TPSA
26.3
LogP / Solubility
WLOGP
2.94
MLOGP
2.58
XLogP3
3.5
Consensus LogP
3.01
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
