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CAS 1416271-20-9 2-Oxetaneacetic acid molecular structure lightbox
CAS RN: 1416271-20-9

2-Oxetaneacetic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260113 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-052016
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • 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 1416271-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

1416271-20-9 / 2-(oxetan-2-yl)acetic acid

Standard CAS: 1416271-20-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416271-20-9
Multi CAS
No
Molecular Formula
C5H8O3
Molecular Weight
116.110000
Exact Mass
116.047344
SMILES
C1COC1CC(=O)O
InChI
InChI=1S/C5H8O3/c6-5(7)3-4-1-2-8-4/h4H,1-3H2,(H,6,7)
InChIKey
VLLIAYSELVGSAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.61
TPSA
46.53

LogP / Solubility

WLOGP
0.25
MLOGP
0.21
XLogP3
-0.2
Consensus LogP
0.09
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very 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)
-3.25

Drug-likeness / Medicinal Chemistry

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

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