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CAS 1609123-53-6 tert-butyl (2S,4S)-2-cyano-4-hydroxypyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 1609123-53-6

tert-butyl (2S,4S)-2-cyano-4-hydroxypyrrolidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-068632
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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 1609123-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1609123-53-6 / tert-butyl (2S,4S)-2-cyano-4-hydroxypyrrolidine-1-carboxylate

Standard CAS: 1609123-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1609123-53-6
Multi CAS
No
Molecular Formula
C10H16N2O3
Molecular Weight
212.250000
Exact Mass
212.116092
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C#N)O
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-6-8(13)4-7(12)5-11/h7-8,13H,4,6H2,1-3H3/t7-,8-/m0/s1
InChIKey
UNVNZVOSYRUJTH-YUMQZZPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.96
TPSA
73.56

LogP / Solubility

WLOGP
0.88
MLOGP
0.78
XLogP3
0.4
Consensus LogP
0.69
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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