[email protected]
CAS 749177-98-8 1-Azetidineaceticacid,alpha-oxo-(9CI) molecular structure lightbox
CAS RN: 749177-98-8

1-Azetidineaceticacid,alpha-oxo-(9CI)

  • Product code: SSC-184375
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 749177-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry

749177-98-8 / 2-(azetidin-1-yl)-2-oxoacetic acid

Standard CAS: 749177-98-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
749177-98-8
Multi CAS
No
Molecular Formula
C5H7NO3
Molecular Weight
129.110000
Exact Mass
129.042593
InChI
InChI=1S/C5H7NO3/c7-4(5(8)9)6-2-1-3-6/h1-3H2,(H,8,9)
InChIKey
SKXPOIQAAMIVEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.83
TPSA
57.61

LogP / Solubility

WLOGP
-0.7
MLOGP
-0.62
XLogP3
-0.2
Consensus LogP
-0.51
Log S (ESOL)
-0.2
Class (ESOL)
Very soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.08
Class (SILICOS-IT)
Highly 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)
-4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us