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CAS 40951-21-1 2-hydroxypentanedioic acid molecular structure lightbox
CAS RN: 40951-21-1

2-hydroxypentanedioic acid

  • Product code: SSC-149346
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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: 0.1g
  • 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 40951-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

40951-21-1 / disodium;2-hydroxypentanedioate

Standard CAS: 40951-21-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40951-21-1
Multi CAS
Yes
Molecular Formula
C5H6NA2O5
Molecular Weight
192.080000
Exact Mass
192.001062
InChI
InChI=1S/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKey
DZHFTEDSQFPDPP-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
25.25
TPSA
100.49

LogP / Solubility

WLOGP
-9.36
MLOGP
-8.24
XLogP3
-9.36
Consensus LogP
-8.99
Log S (ESOL)
5.13
Class (ESOL)
Highly soluble
Log S (Ali)
5.63
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.38
Class (SILICOS-IT)
Highly 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)
-10.54

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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