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CAS 1448440-40-1 (S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile 2,2,2-trifluoroacetate molecular structure lightbox
CAS RN: 1448440-40-1

(S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile 2,2,2-trifluoroacetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250513 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-056177
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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 1448440-40-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1448440-40-1 / (2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid

Standard CAS: 1448440-40-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1448440-40-1
Multi CAS
No
Molecular Formula
C9H10F5N3O3
Molecular Weight
303.190000
Exact Mass
303.064232
SMILES
C1[C@H](N(CC1(F)F)C(=O)CN)C#N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C7H9F2N3O.C2HF3O2/c8-7(9)1-5(2-10)12(4-7)6(13)3-11;3-2(4,5)1(6)7/h5H,1,3-4,11H2;(H,6,7)/t5-;/m0./s1
InChIKey
ZEBDGRASECJYIQ-JEDNCBNOSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.42
TPSA
107.42

LogP / Solubility

WLOGP
0.34
MLOGP
0.31
XLogP3
0.34
Consensus LogP
0.33
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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