CAS RN: 2097130-84-0
9(R)-PAHSA
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.20251008 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2097130-84-0
- Purity/Analytical Methods: >99.0%
2097130-84-0 / (9R)-9-hexadecanoyloxyoctadecanoic acid
Basic Information
CAS
2097130-84-0
Multi CAS
No
Molecular Formula
C34H66O4
Molecular Weight
538.900000
Exact Mass
538.496111
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCC)CCCCCCCC(=O)O
InChI
InChI=1S/C34H66O4/c1-3-5-7-9-11-12-13-14-15-16-18-23-27-31-34(37)38-32(28-24-20-17-10-8-6-4-2)29-25-21-19-22-26-30-33(35)36/h32H,3-31H2,1-2H3,(H,35,36)/t32-/m1/s1
InChIKey
MHQWHZLXDBVXML-JGCGQSQUSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.94
Rotatable bonds
31
H-bond acceptors
3
H-bond donors
1
Molar refractivity
162.76
TPSA
63.6
LogP / Solubility
WLOGP
11.34
MLOGP
10.02
XLogP3
14.2
Consensus LogP
11.85
Log S (ESOL)
-8.28
Class (ESOL)
Insoluble
Log S (Ali)
-12.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.04
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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