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CAS 16404-94-7 (S)-(-)-4-OXO-2-AZETIDINECARBOXYLIC ACID molecular structure lightbox
CAS RN: 16404-94-7

(S)-(-)-4-OXO-2-AZETIDINECARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250710 100mg In stock Shanghai Inquiry
Batchno.20260102 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250903 1g Out of stock Inquiry
Batchno.20250215 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20260514 5g Out of stock Inquiry
  • Product code: SSC-071601
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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: ≥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 16404-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

16404-94-7 / (2S)-4-oxoazetidine-2-carboxylic acid

Standard CAS: 16404-94-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16404-94-7
Multi CAS
No
Molecular Formula
C4H5NO3
Molecular Weight
115.090000
Exact Mass
115.026943
SMILES
C1[C@H](NC1=O)C(=O)O
InChI
InChI=1S/C4H5NO3/c6-3-1-2(5-3)4(7)8/h2H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1
InChIKey
YSPMLLKKKHCTBN-REOHCLBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
24.18
TPSA
66.4

LogP / Solubility

WLOGP
-1.04
MLOGP
-0.93
XLogP3
-1.1
Consensus LogP
-1.02
Log S (ESOL)
0.17
Class (ESOL)
Highly soluble
Log S (Ali)
0.25
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.34
Class (SILICOS-IT)
Highly 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)
-4.16

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 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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