CAS RN: 22633-57-4
Morpholin-4-yl-acetaldehyde, diMethyl acetal
- Product code: SSC-110562
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 | Shanghai | Inquiry |
22633-57-4 / 4-(2,2-dimethoxyethyl)morpholine
Basic Information
CAS
22633-57-4
Multi CAS
No
Molecular Formula
C8H17NO3
Molecular Weight
175.230000
Exact Mass
175.120843
SMILES
COC(CN1CCOCC1)OC
InChI
InChI=1S/C8H17NO3/c1-10-8(11-2)7-9-3-5-12-6-4-9/h8H,3-7H2,1-2H3
InChIKey
LSLNTJSQFVSWIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
45.07
TPSA
30.93
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.06
XLogP3
-0.2
Consensus LogP
-0.11
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.23
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)
-3.83
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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