CAS RN: 918-20-7
2-CHLORO-2-METHYLPROPANE-D9
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.20260211 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS918-20-7
- Purity/Analytical Methods: >99.0%
918-20-7 / 2-chloro-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propane
Basic Information
CAS
918-20-7
Multi CAS
Yes
Molecular Formula
C4H9CL
Molecular Weight
101.620000
Exact Mass
101.095769
InChI
InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3/i1D3,2D3,3D3
InChIKey
NBRKLOOSMBRFMH-GQALSZNTSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
1
Molar refractivity
25.61
TPSA
0.0000
LogP / Solubility
WLOGP
2.02
MLOGP
1.77
XLogP3
1.8
Consensus LogP
1.86
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-1.85
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
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