CAS RN: 928-17-6
3-HYDROXYHEXADECANOIC ACID
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS928-17-6
- Purity/Analytical Methods: >99.0%
928-17-6 / 3-hydroxyhexadecanoic acid
Basic Information
CAS
928-17-6
Multi CAS
Yes
Molecular Formula
C16H32O3
Molecular Weight
272.420000
Exact Mass
272.235145
InChI
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKey
CBWALJHXHCJYTE-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
5.8
Consensus LogP
4.77
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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- Product Code: starshine_CAS928-46-1
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