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CAS 33758-16-6 (S)-(+)-2-DECANOL molecular structure lightbox
CAS RN: 33758-16-6

(S)-(+)-2-DECANOL

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250809 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS33758-16-6
  • Purity/Analytical Methods: >99.0%
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33758-16-6 / decan-2-ol

Standard CAS: 33758-16-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
33758-16-6
Multi CAS
Yes
Molecular Formula
C10H22O
Molecular Weight
158.280000
Exact Mass
158.167065
InChI
InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3/t10-/m0/s1
InChIKey
ACUZDYFTRHEKOS-JTQLQIEISA-N

Physical Properties

Physical Description
Clear colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.67
TPSA
20.23

LogP / Solubility

WLOGP
3.12
MLOGP
2.74
XLogP3
4
Consensus LogP
3.29
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-1.47

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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