CAS RN: 56009-40-6

DL-ALPHA-HYDROXYMYRISTIC ACID METHYL ESTER

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Batchno.20250624 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS56009-40-6
  • Purity/Analytical Methods: >99.0%
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56009-40-6 / methyl 2-hydroxytetradecanoate

Standard CAS: 56009-40-6 Multi CAS: No

Basic Information

CAS
56009-40-6
Multi CAS
No
Molecular Formula
C15H30O3
Molecular Weight
258.400000
Exact Mass
258.219495
InChI
InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14,16H,3-13H2,1-2H3
InChIKey
ATFSJSYRBAGGIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.48
TPSA
46.53

LogP / Solubility

WLOGP
3.83
MLOGP
3.38
XLogP3
5.6
Consensus LogP
4.27
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly soluble

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)
-1.58

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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