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CAS 893638-34-1 5,6-Dihydro-4H-cyclopent[d]isoxazole-3-carboxylic acid molecular structure lightbox
CAS RN: 893638-34-1

5,6-Dihydro-4H-cyclopent[d]isoxazole-3-carboxylic acid

  • Product code: SSC-201273
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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
  • 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 893638-34-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

893638-34-1 / 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid

Standard CAS: 893638-34-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893638-34-1
Multi CAS
No
Molecular Formula
C7H7NO3
Molecular Weight
153.140000
Exact Mass
153.042593
InChI
InChI=1S/C7H7NO3/c9-7(10)6-4-2-1-3-5(4)11-8-6/h1-3H2,(H,9,10)
InChIKey
DCFBJOQPEAXQKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.49
TPSA
63.33

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
0.9
Consensus LogP
0.84
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.04

Drug-likeness / Medicinal Chemistry

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

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