CAS RN: 58763-57-8

6-Hydroxy-palmitinsaeure

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Batchno.20251114 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS58763-57-8
  • Purity/Analytical Methods: >99.0%
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58763-57-8 / 6-hydroxyhexadecanoic acid

Standard CAS: 58763-57-8 Multi CAS: No

Basic Information

CAS
58763-57-8
Multi CAS
No
Molecular Formula
C16H32O3
Molecular Weight
272.420000
Exact Mass
272.235145
InChI
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-12-15(17)13-10-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKey
DLMIUMCETWCTHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
79.34
TPSA
57.53

LogP / Solubility

WLOGP
4.52
MLOGP
3.99
XLogP3
5.2
Consensus LogP
4.57
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.86
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)
-1.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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