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CAS 664364-29-8 3-PYRROLIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-, ETHYL ESTER molecular structure lightbox
CAS RN: 664364-29-8

3-PYRROLIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-, ETHYL ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250805 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-176130
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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: 5g
  • 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 664364-29-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

664364-29-8 / tert-butyl 3-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate

Standard CAS: 664364-29-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
664364-29-8
Multi CAS
Yes
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
InChI
InChI=1S/C13H23NO4/c1-5-17-11(15)8-10-6-7-14(9-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChIKey
PIDOQUSXCYDMQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
67.16
TPSA
55.84

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
1.7
Consensus LogP
1.95
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.73

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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