CAS RN: 40292-82-8
Neodecanoyl chloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251128 | 5ml / 25ml / 100ml / 500ml / 2.5L | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS40292-82-8
- Purity/Analytical Methods: >99.0%
40292-82-8 / 7,7-dimethyloctanoyl chloride
Basic Information
CAS
40292-82-8
Multi CAS
Yes
Molecular Formula
C10H19CLO
Molecular Weight
190.710000
Exact Mass
190.112443
InChI
InChI=1S/C10H19ClO/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3
InChIKey
WOFMVUZGDHWHLJ-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
53.4
TPSA
17.07
LogP / Solubility
WLOGP
3.75
MLOGP
3.3
XLogP3
4.4
Consensus LogP
3.82
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22
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
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