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CAS 1448440-51-4 (S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile hydrochloride molecular structure lightbox
CAS RN: 1448440-51-4

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-056181
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1448440-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1448440-51-4 / (2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;hydrochloride

Standard CAS: 1448440-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1448440-51-4
Multi CAS
No
Molecular Formula
C7H10ClF2N3O
Molecular Weight
225.620000
Exact Mass
225.048046
SMILES
C1[C@H](N(CC1(F)F)C(=O)CN)C#N.Cl
InChI
InChI=1S/C7H9F2N3O.ClH/c8-7(9)1-5(2-10)12(4-7)6(13)3-11;/h5H,1,3-4,11H2;1H/t5-;/m0./s1
InChIKey
FWEDQWSJHMMMGQ-JEDNCBNOSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.98
TPSA
70.12

LogP / Solubility

WLOGP
0.13
MLOGP
0.11
XLogP3
0.13
Consensus LogP
0.12
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-4.01

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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