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CAS 58610-66-5 Spiro[1,3-dioxolane-2,1′(5’H)-indolizine]-7′-acetic acid, 6′-cyano-α-ethyl-2′,3′-dihydro-5′-oxo-, ethyl ester molecular structure lightbox
CAS RN: 58610-66-5

Spiro[1,3-dioxolane-2,1′(5’H)-indolizine]-7′-acetic acid, 6′-cyano-α-ethyl-2′,3′-dihydro-5′-oxo-, ethyl ester

  • Product code: SSC-166904
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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: 0.1g
  • 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 58610-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

58610-66-5 / ethyl 2-(6'-cyano-5'-oxospiro[1,3-dioxolane-2,1'-2,3-dihydroindolizine]-7'-yl)butanoate

Standard CAS: 58610-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58610-66-5
Multi CAS
No
Molecular Formula
C17H20N2O5
Molecular Weight
332.400000
Exact Mass
332.137222
InChI
InChI=1S/C17H20N2O5/c1-3-11(16(21)22-4-2)12-9-14-17(23-7-8-24-17)5-6-19(14)15(20)13(12)10-18/h9,11H,3-8H2,1-2H3
InChIKey
GTFGMFHOVANJCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
83.28
TPSA
90.55

LogP / Solubility

WLOGP
1.38
MLOGP
1.23
XLogP3
0.3
Consensus LogP
0.97
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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