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CAS 51655-55-1 3-Ethylnonan-1-ol molecular structure lightbox
CAS RN: 51655-55-1

3-Ethylnonan-1-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS51655-55-1
  • Purity/Analytical Methods: >99.0%
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51655-55-1 / 3-ethylnonan-1-ol

Standard CAS: 51655-55-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51655-55-1
Multi CAS
No
Molecular Formula
C11H24O
Molecular Weight
172.310000
Exact Mass
172.182715
InChI
InChI=1S/C11H24O/c1-3-5-6-7-8-11(4-2)9-10-12/h11-12H,3-10H2,1-2H3
InChIKey
QTJURDURBMIUFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.24
TPSA
20.23

LogP / Solubility

WLOGP
3.37
MLOGP
2.96
XLogP3
4.5
Consensus LogP
3.61
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly 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)
-1.38

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
2

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