CAS RN: 1235639-75-4
Methyl (R)-4-Benzyl-5-oxo-3-morpholinecarboxylate
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.20260616 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-027306
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1235639-75-4 / methyl (3R)-4-benzyl-5-oxomorpholine-3-carboxylate
Basic Information
CAS
1235639-75-4
Multi CAS
No
Molecular Formula
C13H15NO4
Molecular Weight
249.260000
Exact Mass
249.100108
SMILES
COC(=O)[C@H]1COCC(=O)N1CC2=CC=CC=C2
InChI
InChI=1S/C13H15NO4/c1-17-13(16)11-8-18-9-12(15)14(11)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m1/s1
InChIKey
UTUDPLWXJNKTNP-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
63.62
TPSA
55.84
LogP / Solubility
WLOGP
0.59
MLOGP
0.52
XLogP3
0.8
Consensus LogP
0.64
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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