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CAS 119844-66-5 (5S)-5-methylmorpholin-3-one molecular structure lightbox
CAS RN: 119844-66-5

(5S)-5-methylmorpholin-3-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020637
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 119844-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

119844-66-5 / (5S)-5-methylmorpholin-3-one

(5S)-5-Methylmorpholin-3-one | DTXSID00496449 | RefChem:209650

Standard CAS: 119844-66-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119844-66-5
Multi CAS
Yes
Molecular Formula
C5H9NO2
Molecular Weight
115.130000
Exact Mass
115.063329
SMILES
C[C@H]1COCC(=O)N1
InChI
InChI=1S/C5H9NO2/c1-4-2-8-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKey
WWPWUBHXXRVWJK-BYPYZUCNSA-N
Synonyms
(5S)-5-Methylmorpholin-3-one DTXSID00496449 RefChem:209650 DTXCID00447259 635-418-8

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.42
TPSA
38.33

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.43
XLogP3
-0.4
Consensus LogP
-0.44
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.01
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)
-3.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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