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CAS 99319-03-6 2,4-PYRROLIDINEDICARBOXYLIC ACID molecular structure lightbox
CAS RN: 99319-03-6

2,4-PYRROLIDINEDICARBOXYLIC ACID

  • Product code: SSC-213088
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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 99319-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

99319-03-6 / pyrrolidine-2,4-dicarboxylic acid

Standard CAS: 99319-03-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99319-03-6
Multi CAS
Yes
Molecular Formula
C6H9NO4
Molecular Weight
159.140000
Exact Mass
159.053158
InChI
InChI=1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)
InChIKey
NRSBQSJHFYZIPH-UHFFFAOYSA-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
35.17
TPSA
86.63

LogP / Solubility

WLOGP
-0.87
MLOGP
-0.77
XLogP3
-3.2
Consensus LogP
-1.61
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
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)
-4.31

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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