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CAS 706806-58-8 (S)-1-(tert-Butoxycarbonyl)-2-propylpyrrolidine-2-carboxylic acid molecular structure lightbox
CAS RN: 706806-58-8

(S)-1-(tert-Butoxycarbonyl)-2-propylpyrrolidine-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250103 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: SSC-180421
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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: ≥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 706806-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

706806-58-8 / (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propylpyrrolidine-2-carboxylic acid

Standard CAS: 706806-58-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
706806-58-8
Multi CAS
No
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
InChI
InChI=1S/C13H23NO4/c1-5-7-13(10(15)16)8-6-9-14(13)11(17)18-12(2,3)4/h5-9H2,1-4H3,(H,15,16)/t13-/m0/s1
InChIKey
JPVUNRZZXRGUBY-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.45
TPSA
66.84

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.3
Consensus LogP
2.42
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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