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CAS 1219171-26-2 2-acetamido-2-(oxan-4-yl)acetic acid molecular structure lightbox
CAS RN: 1219171-26-2

2-acetamido-2-(oxan-4-yl)acetic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-024755
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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 1219171-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1219171-26-2 / 2-acetamido-2-(oxan-4-yl)acetic acid

Standard CAS: 1219171-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219171-26-2
Multi CAS
No
Molecular Formula
C9H15NO4
Molecular Weight
201.220000
Exact Mass
201.100108
SMILES
CC(=O)NC(C1CCOCC1)C(=O)O
InChI
InChI=1S/C9H15NO4/c1-6(11)10-8(9(12)13)7-2-4-14-5-3-7/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKey
WBQXOUISLXTTBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.78
TPSA
75.63

LogP / Solubility

XLogP3
-0.2
Consensus LogP
-0.07
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-3.95

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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