CAS RN: 2004679-55-2
(3R,5R)-3-Butyl-3-methyl-5-phenylmorpholin-2-one
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.20250725 | 25mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-094377
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 | Hong Kong | Inquiry |
2004679-55-2 / (3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one
Basic Information
CAS
2004679-55-2
Multi CAS
No
Molecular Formula
C15H21NO2
Molecular Weight
247.330000
Exact Mass
247.157229
SMILES
CCCC[C@@]1(C(=O)OC[C@H](N1)C2=CC=CC=C2)C
InChI
InChI=1S/C15H21NO2/c1-3-4-10-15(2)14(17)18-11-13(16-15)12-8-6-5-7-9-12/h5-9,13,16H,3-4,10-11H2,1-2H3/t13-,15+/m0/s1
InChIKey
KEJKFWAJMISQRD-DZGCQCFKSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.21
TPSA
38.33
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
3
Consensus LogP
2.77
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly 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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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