CAS RN: 217477-25-3
Sapienic acid sodium
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.20250117 | 2mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS217477-25-3
- Purity/Analytical Methods: >99.0%
217477-25-3 / sodium (Z)-hexadec-6-enoate
Basic Information
CAS
217477-25-3
Multi CAS
No
Molecular Formula
C16H29NaO2
Molecular Weight
276.390000
Exact Mass
276.206524
SMILES
CCCCCCCCC/C=C\CCCCC(=O)[O-].[Na+]
InChI
InChI=1S/C16H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h10-11H,2-9,12-15H2,1H3,(H,17,18);/q;+1/p-1/b11-10-;
InChIKey
MTXLIDQLSMYYRU-GMFCBQQYSA-M
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.81
Rotatable bonds
13
H-bond acceptors
2
Molar refractivity
75.23
TPSA
40.13
LogP / Solubility
WLOGP
1
MLOGP
0.89
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7
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
1.5
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