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CAS 18294-85-4 (2S)-2-hydroxy-hexanedioic acid molecular structure lightbox
CAS RN: 18294-85-4

(2S)-2-hydroxy-hexanedioic acid

  • Product code: SSC-084661
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18294-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Beijing Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g -- 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g -- 4 In Stock Shenzhen Inquiry
1g >95% 4 In Stock Shanghai Inquiry
5g -- 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shenzhen Inquiry

18294-85-4 / 2-hydroxyhexanedioic acid

Standard CAS: 18294-85-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
18294-85-4
Multi CAS
No
Molecular Formula
C6H10O5
Molecular Weight
162.140000
Exact Mass
162.052823
SMILES
C(CC(C(=O)O)O)CC(=O)O
InChI
InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKey
OTTXIFWBPRRYOG-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
35.13
TPSA
94.83

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.28
XLogP3
-0.6
Consensus LogP
-0.4
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.93

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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