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CAS 35634-41-4 2,5-Pyrrolidinedicarboxylicacid,(2R,5S)-rel-(9CI) molecular structure lightbox
CAS RN: 35634-41-4

2,5-Pyrrolidinedicarboxylicacid,(2R,5S)-rel-(9CI)

  • Product code: SSC-142660
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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 35634-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

35634-41-4 / pyrrolidine-2,5-dicarboxylic acid

Standard CAS: 35634-41-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35634-41-4
Multi CAS
Yes
Molecular Formula
C6H9NO4
Molecular Weight
159.140000
Exact Mass
159.053158
InChI
InChI=1S/C6H9NO4/c8-5(9)3-1-2-4(7-3)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4+
InChIKey
ZKXSPYPKBXRBNP-ZXZARUISSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
35.22
TPSA
86.63

LogP / Solubility

WLOGP
-0.72
MLOGP
-0.64
XLogP3
-2.7
Consensus LogP
-1.35
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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