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CAS 329956-53-8 METHYL 1-BENZYL-4-OXOPYRROLIDINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 329956-53-8

METHYL 1-BENZYL-4-OXOPYRROLIDINE-3-CARBOXYLATE

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250914 1g Out of stock Inquiry
Batchno.20251107 250mg In stock Shenzhen, Tianjin Inquiry
Batchno.20250209 5g Out of stock Inquiry
  • Product code: SSC-138803
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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 329956-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

329956-53-8 / methyl 1-benzyl-4-oxopyrrolidine-3-carboxylate

Standard CAS: 329956-53-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
329956-53-8
Multi CAS
Yes
Molecular Formula
C13H15NO3
Molecular Weight
233.260000
Exact Mass
233.105193
InChI
InChI=1S/C13H15NO3/c1-17-13(16)11-8-14(9-12(11)15)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey
BHRTVWYTAPOXDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
62.23
TPSA
46.61

LogP / Solubility

WLOGP
0.86
MLOGP
0.76
XLogP3
1.4
Consensus LogP
1.01
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately 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)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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