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CAS 17740-40-8 DIETHYL 1-BENZYLPYRROLIDINE-2,5-DICARBOXYLATE molecular structure lightbox
CAS RN: 17740-40-8

DIETHYL 1-BENZYLPYRROLIDINE-2,5-DICARBOXYLATE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260202 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251203 5g In stock Shenzhen Inquiry
  • Product code: SSC-077555
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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: ＞97%
  • 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 17740-40-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

17740-40-8 / diethyl 1-benzylpyrrolidine-2,5-dicarboxylate

Standard CAS: 17740-40-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17740-40-8
Multi CAS
No
Molecular Formula
C17H23NO4
Molecular Weight
305.400000
Exact Mass
305.162708
SMILES
CCOC(=O)C1CCC(N1CC2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C17H23NO4/c1-3-21-16(19)14-10-11-15(17(20)22-4-2)18(14)12-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3
InChIKey
LDUSEIANLSWKPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
82.06
TPSA
55.84

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
2.9
Consensus LogP
2.32
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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