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CAS 479253-00-4 N-trans-BOC-(3S)-Fluoropyrrolidine molecular structure lightbox
CAS RN: 479253-00-4

N-trans-BOC-(3S)-Fluoropyrrolidine

Product Availability

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250203 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251102 1g Out of stock Inquiry
Batchno.20250613 250mg Out of stock Inquiry
Batchno.20251014 5g Out of stock Inquiry
  • Product code: SSC-154914
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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, 5g
  • 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 479253-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

479253-00-4 / tert-butyl (3S)-3-fluoropyrrolidine-1-carboxylate

Standard CAS: 479253-00-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
479253-00-4
Multi CAS
Yes
Molecular Formula
C9FH16NO2
Molecular Weight
189.230000
Exact Mass
189.116507
InChI
InChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
SUECTKVSIDXQQE-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.32
TPSA
29.54

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.7
Consensus LogP
1.8
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-2.48

Drug-likeness / Medicinal Chemistry

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

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