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CAS 81982-56-1 Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-difluoro- molecular structure lightbox
CAS RN: 81982-56-1

Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-difluoro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-190228
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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: 0.05g, 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 81982-56-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

81982-56-1 / 4,4-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Standard CAS: 81982-56-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81982-56-1
Multi CAS
No
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(10)11)4-6(13)14/h5,7H,4H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
XHWAYUNOUVDRCD-UHFFFAOYSA-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
1.3
Consensus LogP
1.45
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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