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CAS 94109-19-0 (2-hydroxyethyl) hydrogen adipate molecular structure lightbox
CAS RN: 94109-19-0

(2-hydroxyethyl) hydrogen adipate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260408 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS94109-19-0
  • Purity/Analytical Methods: >99.0%
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94109-19-0 / 6-(2-hydroxyethoxy)-6-oxohexanoic acid

Standard CAS: 94109-19-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94109-19-0
Multi CAS
No
Molecular Formula
C8H14O5
Molecular Weight
190.190000
Exact Mass
190.084124
InChI
InChI=1S/C8H14O5/c9-5-6-13-8(12)4-2-1-3-7(10)11/h9H,1-6H2,(H,10,11)
InChIKey
YXCHMHANQUUDOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.15
TPSA
83.83

LogP / Solubility

WLOGP
0.17
MLOGP
0.15
XLogP3
-0.4
Consensus LogP
-0.03
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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