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CAS 2165974-26-3 tert-butyl (R)-3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 2165974-26-3

tert-butyl (R)-3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260607 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-103869
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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: >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 2165974-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

2165974-26-3 / tert-butyl (4R)-3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate

Standard CAS: 2165974-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2165974-26-3
Multi CAS
No
Molecular Formula
C9H15F2NO3
Molecular Weight
223.220000
Exact Mass
223.102000
SMILES
CC(C)(C)OC(=O)N1C[C@H](C(C1)(F)F)O
InChI
InChI=1S/C9H15F2NO3/c1-8(2,3)15-7(14)12-4-6(13)9(10,11)5-12/h6,13H,4-5H2,1-3H3/t6-/m1/s1
InChIKey
MKRJRMARSARGCB-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.76
TPSA
49.77

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.21

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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