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CAS 1403766-72-2 Isopropyl 1-(Boc-amino)-3,3-difluoro-cyclobutanecarboxylate molecular structure lightbox
CAS RN: 1403766-72-2

Isopropyl 1-(Boc-amino)-3,3-difluoro-cyclobutanecarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-050952
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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 1403766-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1403766-72-2 / propan-2-yl 3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate

Standard CAS: 1403766-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1403766-72-2
Multi CAS
No
Molecular Formula
C13H21F2NO4
Molecular Weight
293.310000
Exact Mass
293.143864
SMILES
CC(C)OC(=O)C1(CC(C1)(F)F)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H21F2NO4/c1-8(2)19-9(17)12(6-13(14,15)7-12)16-10(18)20-11(3,4)5/h8H,6-7H2,1-5H3,(H,16,18)
InChIKey
FXGAOZAPAHGPPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.51
TPSA
64.63

LogP / Solubility

WLOGP
2.63
MLOGP
2.33
XLogP3
2.7
Consensus LogP
2.55
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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