CAS RN: 19781-43-2
4-HEXADECANOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260622 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS19781-43-2
- Purity/Analytical Methods: >99.0%
19781-43-2 / hexadecan-4-ol
Basic Information
CAS
19781-43-2
Multi CAS
No
Molecular Formula
C16H34O
Molecular Weight
242.440000
Exact Mass
242.260966
SMILES
CCCCCCCCCCCCC(CCC)O
InChI
InChI=1S/C16H34O/c1-3-5-6-7-8-9-10-11-12-13-15-16(17)14-4-2/h16-17H,3-15H2,1-2H3
InChIKey
JIMMILCKVYOFET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
77.38
TPSA
20.23
LogP / Solubility
WLOGP
5.46
MLOGP
4.81
XLogP3
7
Consensus LogP
5.76
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.33
Class (SILICOS-IT)
Insoluble
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)
-0.32
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
2
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