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CAS 1592739-14-4 1-Azetidinecarboxylic acid, 3-(carboxymethoxy)-3-methyl-, 1-(9H-fluoren-9-ylmethyl) ester molecular structure lightbox
CAS RN: 1592739-14-4

1-Azetidinecarboxylic acid, 3-(carboxymethoxy)-3-methyl-, 1-(9H-fluoren-9-ylmethyl) ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-067265
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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: >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 1592739-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry

1592739-14-4 / 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-methylazetidin-3-yl]oxyacetic acid

Standard CAS: 1592739-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1592739-14-4
Multi CAS
No
Molecular Formula
C21H21NO5
Molecular Weight
367.400000
Exact Mass
367.141973
SMILES
CC1(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OCC(=O)O
InChI
InChI=1S/C21H21NO5/c1-21(27-11-19(23)24)12-22(13-21)20(25)26-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,23,24)
InChIKey
PKLJNBZDWQSYQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
98.63
TPSA
76.07

LogP / Solubility

WLOGP
3.11
MLOGP
2.76
XLogP3
2.7
Consensus LogP
2.86
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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