CAS RN: 1323199-72-9
(E)-4-Morpholinobut-2-enoic acid
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.20250723 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-039268
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 |
1323199-72-9 / (E)-4-morpholin-4-ylbut-2-enoic acid
Basic Information
CAS
1323199-72-9
Multi CAS
No
Molecular Formula
C8H13NO3
Molecular Weight
171.190000
Exact Mass
171.089543
SMILES
C1COCCN1C/C=C/C(=O)O
InChI
InChI=1S/C8H13NO3/c10-8(11)2-1-3-9-4-6-12-7-5-9/h1-2H,3-7H2,(H,10,11)/b2-1+
InChIKey
LQFDQJDIWFMWHN-OWOJBTEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.03
TPSA
49.77
LogP / Solubility
WLOGP
-0.04
MLOGP
-0.04
XLogP3
-2.6
Consensus LogP
-0.89
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.1
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)
-3.79
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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