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CAS 467442-20-2 (S)-2-(tert-butoxycarbonylamino)-4,4-difluorobutanoic acid molecular structure lightbox
CAS RN: 467442-20-2

(S)-2-(tert-butoxycarbonylamino)-4,4-difluorobutanoic acid

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250201 100mg In stock Shanghai Inquiry
Batchno.20250424 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260428 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250820 250mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-153979
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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 467442-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

467442-20-2 / 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Standard CAS: 467442-20-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
467442-20-2
Multi CAS
Yes
Molecular Formula
C9F2H15NO4
Molecular Weight
239.220000
Exact Mass
239.096914
InChI
InChI=1S/C9H15F2NO4/c1-9(2,3)16-8(15)12-5(7(13)14)4-6(10)11/h5-6H,4H2,1-3H3,(H,12,15)(H,13,14)/t5-/m0/s1
InChIKey
UCCLBCNDXKDPDT-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.41
TPSA
75.63

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.8
Consensus LogP
1.62
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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