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CAS 1782290-73-6 3-(difluoromethyl)oxetane-3-carboxylic acid molecular structure lightbox
CAS RN: 1782290-73-6

3-(difluoromethyl)oxetane-3-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250428 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-078594
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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 1782290-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1782290-73-6 / 3-(difluoromethyl)oxetane-3-carboxylic acid

Standard CAS: 1782290-73-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1782290-73-6
Multi CAS
No
Molecular Formula
C5H6F2O3
Molecular Weight
152.100000
Exact Mass
152.028500
SMILES
C1C(CO1)(C(F)F)C(=O)O
InChI
InChI=1S/C5H6F2O3/c6-3(7)5(4(8)9)1-10-2-5/h3H,1-2H2,(H,8,9)
InChIKey
YUTDROUNLNBTML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.89
TPSA
46.53

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
XLogP3
0.1
Consensus LogP
0.25
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
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)
-3.4

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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