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CAS 1434141-95-3 tert-butyl N-(4,4-difluoropyrrolidin-3-yl)carbamate molecular structure lightbox
CAS RN: 1434141-95-3

tert-butyl N-(4,4-difluoropyrrolidin-3-yl)carbamate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-054863
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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: 0.25g
  • 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 1434141-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

1434141-95-3 / tert-butyl N-(4,4-difluoropyrrolidin-3-yl)carbamate

Standard CAS: 1434141-95-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1434141-95-3
Multi CAS
No
Molecular Formula
C9H16F2N2O2
Molecular Weight
222.230000
Exact Mass
222.117984
SMILES
CC(C)(C)OC(=O)NC1CNCC1(F)F
InChI
InChI=1S/C9H16F2N2O2/c1-8(2,3)15-7(14)13-6-4-12-5-9(6,10)11/h6,12H,4-5H2,1-3H3,(H,13,14)
InChIKey
AYPWPGOPAZUJDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.97
TPSA
50.36

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-3.28

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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