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CAS 933692-47-8 (3-oxomorpholin-4-yl)acetic acid molecular structure lightbox
CAS RN: 933692-47-8

(3-oxomorpholin-4-yl)acetic acid

  • Product code: SSC-207387
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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: 0.25g
  • 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 933692-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

933692-47-8 / 2-(3-oxomorpholin-4-yl)acetic acid

Standard CAS: 933692-47-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
933692-47-8
Multi CAS
No
Molecular Formula
C6H9NO4
Molecular Weight
159.140000
Exact Mass
159.053158
InChI
InChI=1S/C6H9NO4/c8-5-4-11-2-1-7(5)3-6(9)10/h1-4H2,(H,9,10)
InChIKey
SZUPCAZDKKJKEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.03
TPSA
66.84

LogP / Solubility

WLOGP
-1.07
MLOGP
-0.95
XLogP3
-1
Consensus LogP
-1.01
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
-0.09
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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