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CAS 207118-08-9 Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4,4-trifluoro-, (2R)- molecular structure lightbox
CAS RN: 207118-08-9

Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4,4-trifluoro-, (2R)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260320 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-097529
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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: ≥98%
  • 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 207118-08-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥98% 0 Out of Stock Beijing Inquiry
0.1g ≥98% 0 Out of Stock Shenzhen Inquiry
0.25g ≥98% 0 Out of Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

207118-08-9 / (2R)-4,4,4-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Standard CAS: 207118-08-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207118-08-9
Multi CAS
No
Molecular Formula
C9H14F3NO4
Molecular Weight
257.210000
Exact Mass
257.087492
SMILES
CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)C(=O)O
InChI
InChI=1S/C9H14F3NO4/c1-8(2,3)17-7(16)13-5(6(14)15)4-9(10,11)12/h5H,4H2,1-3H3,(H,13,16)(H,14,15)/t5-/m1/s1
InChIKey
UCUKFQMRNHNNQY-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.47
TPSA
75.63

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
2
Consensus LogP
1.87
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

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

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