CAS RN: 650579-38-7
4-Morpholinecarboxylic acid, 2-(chloromethyl)-, 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-174711
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
650579-38-7 / tert-butyl 2-(chloromethyl)morpholine-4-carboxylate
Basic Information
CAS
650579-38-7
Multi CAS
No
Molecular Formula
C10H18CLNO3
Molecular Weight
235.710000
Exact Mass
235.097521
InChI
InChI=1S/C10H18ClNO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3
InChIKey
LKTUWBGNUYXETD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.27
TPSA
38.77
LogP / Solubility
WLOGP
1.86
MLOGP
1.64
XLogP3
1.4
Consensus LogP
1.63
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-2.84
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
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