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CAS 87383-23-1 2-methylhexadecan-2-ol molecular structure lightbox
CAS RN: 87383-23-1

2-methylhexadecan-2-ol

Product Availability

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS87383-23-1
  • Purity/Analytical Methods: >99.0%
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87383-23-1 / 2-methylhexadecan-2-ol

Standard CAS: 87383-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87383-23-1
Multi CAS
No
Molecular Formula
C17H36O
Molecular Weight
256.500000
Exact Mass
256.276616
InChI
InChI=1S/C17H36O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)18/h18H,4-16H2,1-3H3
InChIKey
RNARYAUSQQNJOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
81.99
TPSA
20.23

LogP / Solubility

WLOGP
5.85
MLOGP
5.15
XLogP3
7.4
Consensus LogP
6.13
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.13

Drug-likeness / Medicinal Chemistry

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

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