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CAS 6752-33-6 2,2′-(HEXYLIMINO)DIETHANOL molecular structure lightbox
CAS RN: 6752-33-6

2,2′-(HEXYLIMINO)DIETHANOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251102 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6752-33-6
  • Purity/Analytical Methods: >99.0%
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6752-33-6 / 2-[hexyl(2-hydroxyethyl)amino]ethanol

Standard CAS: 6752-33-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6752-33-6
Multi CAS
Yes
Molecular Formula
C10H23NO2
Molecular Weight
189.300000
Exact Mass
189.172879
InChI
InChI=1S/C10H23NO2/c1-2-3-4-5-6-11(7-9-12)8-10-13/h12-13H,2-10H2,1H3
InChIKey
GIACMWUKBLHAAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.75
TPSA
43.7

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
1.2
Consensus LogP
0.93
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-3.27

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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