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CAS 2174-58-5 (S)-(-)-Methylsuccinic acid molecular structure lightbox
CAS RN: 2174-58-5

(S)-(-)-Methylsuccinic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250425 250mg / 1g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-104985
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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: 5g, 10g, 25g
  • Available purity: ＞97%
  • 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 2174-58-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

2174-58-5 / (2S)-2-methylbutanedioic acid

Standard CAS: 2174-58-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2174-58-5
Multi CAS
No
Molecular Formula
C5H8O4
Molecular Weight
132.110000
Exact Mass
132.042259
SMILES
C[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKey
WXUAQHNMJWJLTG-VKHMYHEASA-N

Physical Properties

Melting Point
117.5 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.05
TPSA
74.6

LogP / Solubility

WLOGP
0.18
MLOGP
0.15
XLogP3
-0.2
Consensus LogP
0.04
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.4

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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