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CAS 40860-26-2 2-[(AMINOCARBONYL)AMINO]PENTANEDIOIC ACID molecular structure lightbox
CAS RN: 40860-26-2

2-[(AMINOCARBONYL)AMINO]PENTANEDIOIC ACID

  • Product code: SSC-149248
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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: 0.25g
  • 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 40860-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

40860-26-2 / (2S)-2-(carbamoylamino)pentanedioic acid

Standard CAS: 40860-26-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
40860-26-2
Multi CAS
Yes
Molecular Formula
C6H10N2O5
Molecular Weight
190.150000
Exact Mass
190.058971
InChI
InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)
InChIKey
LCQLHJZYVOQKHU-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
4
Molar refractivity
41.01
TPSA
129.72

LogP / Solubility

WLOGP
-1.03
MLOGP
-0.91
XLogP3
-2.4
Consensus LogP
-1.45
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
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)
-4.61

Drug-likeness / Medicinal Chemistry

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

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