CAS RN: 88017-03-2
N-(2-aMinoethyl)-4-MorpholinecarboxaMide hydrochloride
- Product code: SSC-198458
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
88017-03-2 / N-(2-aminoethyl)morpholine-4-carboxamide;hydrochloride
Basic Information
CAS
88017-03-2
Multi CAS
Yes
Molecular Formula
C7H16CLN3O2
Molecular Weight
209.670000
Exact Mass
209.093105
InChI
InChI=1S/C7H15N3O2.ClH/c8-1-2-9-7(11)10-3-5-12-6-4-10;/h1-6,8H2,(H,9,11);1H
InChIKey
IBHMRVSCIXUNHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.09
TPSA
67.59
LogP / Solubility
WLOGP
-0.59
MLOGP
-0.52
XLogP3
-0.59
Consensus LogP
-0.57
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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