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CAS 14292-29-6 3-hydroxyhexanedioic acid molecular structure lightbox
CAS RN: 14292-29-6

3-hydroxyhexanedioic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251214 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS14292-29-6
  • Purity/Analytical Methods: >99.0%
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14292-29-6 / 3-hydroxyhexanedioic acid

Standard CAS: 14292-29-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
14292-29-6
Multi CAS
No
Molecular Formula
C6H10O5
Molecular Weight
162.140000
Exact Mass
162.052823
SMILES
C(CC(=O)O)C(CC(=O)O)O
InChI
InChI=1S/C6H10O5/c7-4(3-6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKey
YVOMYDHIQVMMTA-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
-1
Consensus LogP
-0.53
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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