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CAS 51483-87-5 2,5-Pyrrolidinedicarboxylic acid, 1-(phenylMethyl)-, diMethyl ester molecular structure lightbox
CAS RN: 51483-87-5

2,5-Pyrrolidinedicarboxylic acid, 1-(phenylMethyl)-, diMethyl ester

  • Product code: SSC-158334
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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 51483-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

51483-87-5 / dimethyl 1-benzylpyrrolidine-2,5-dicarboxylate

Standard CAS: 51483-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51483-87-5
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
InChI
InChI=1S/C15H19NO4/c1-19-14(17)12-8-9-13(15(18)20-2)16(12)10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3
InChIKey
VOUOTBJQQLQSCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
72.83
TPSA
55.84

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
2.2
Consensus LogP
1.59
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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