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CAS 659747-06-5 tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate molecular structure lightbox
CAS RN: 659747-06-5

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-175590
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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: ≥95%
  • 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 659747-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

659747-06-5 / tert-butyl 4-hydroxypyrrolidine-2-carboxylate

Standard CAS: 659747-06-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
659747-06-5
Multi CAS
Yes
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)7-4-6(11)5-10-7/h6-7,10-11H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKey
VSLZXCDAPVPGOX-BQBZGAKWSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.26
TPSA
58.56

LogP / Solubility

WLOGP
0.05
MLOGP
0.04
XLogP3
0.2
Consensus LogP
0.1
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
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)
-3.83

Drug-likeness / Medicinal Chemistry

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

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