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CAS 1225532-86-4 1-amino-3,3-difluoro-cyclobutane carboxylicacid molecular structure lightbox
CAS RN: 1225532-86-4

1-amino-3,3-difluoro-cyclobutane carboxylicacid

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260614 100mg In stock Shanghai Inquiry
Batchno.20251128 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250822 1g In stock Shanghai Inquiry
Batchno.20260410 250mg In stock Shanghai Inquiry
Batchno.20260227 5g In stock Shanghai Inquiry
  • Product code: SSC-025535
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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: ＞97%
  • 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 1225532-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1225532-86-4 / 1-amino-3,3-difluorocyclobutane-1-carboxylic acid

Standard CAS: 1225532-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1225532-86-4
Multi CAS
No
Molecular Formula
C5H7F2NO2
Molecular Weight
151.110000
Exact Mass
151.044485
SMILES
C1C(CC1(F)F)(C(=O)O)N
InChI
InChI=1S/C5H7F2NO2/c6-5(7)1-4(8,2-5)3(9)10/h1-2,8H2,(H,9,10)
InChIKey
KSCVQJSNYDFHOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.74
TPSA
63.32

LogP / Solubility

WLOGP
0.2
MLOGP
0.17
XLogP3
-2.4
Consensus LogP
-0.68
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-3.5

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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