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CAS 872716-26-2 tert-butyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate molecular structure lightbox
CAS RN: 872716-26-2

tert-butyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-197053
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 872716-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

872716-26-2 / tert-butyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate

Standard CAS: 872716-26-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
872716-26-2
Multi CAS
Yes
Molecular Formula
C10FH19N2O2
Molecular Weight
218.270000
Exact Mass
218.143056
InChI
InChI=1S/C10H19FN2O2/c1-9(2,3)15-8(14)13-7-10(11)4-5-12-6-10/h12H,4-7H2,1-3H3,(H,13,14)
InChIKey
GPEHPMQIVVIUQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.56
TPSA
50.36

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
0.9
Consensus LogP
1.06
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-3.19

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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