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CAS 62212-14-0 N-MALEONYL-(S)-ALANINE molecular structure lightbox
CAS RN: 62212-14-0

N-MALEONYL-(S)-ALANINE

  • Product code: SSC-171302
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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 62212-14-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

62212-14-0 / 2-(2,5-dioxopyrrol-1-yl)propanoic acid

Standard CAS: 62212-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62212-14-0
Multi CAS
No
Molecular Formula
C7H7NO4
Molecular Weight
169.130000
Exact Mass
169.037508
InChI
InChI=1S/C7H7NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h2-4H,1H3,(H,11,12)
InChIKey
MDNSLPICAWKNAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.09
TPSA
74.68

LogP / Solubility

WLOGP
-0.62
MLOGP
-0.55
XLogP3
-0.5
Consensus LogP
-0.56
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.19

Drug-likeness / Medicinal Chemistry

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

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