CAS RN: 1345275-22-0
(10(11)-DiHDPA
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.20260207 | 50μg / 100μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1345275-22-0
- Purity/Analytical Methods: >99.0%
1345275-22-0 / (4Z,7Z,13Z,16Z,19Z)-10,11-dihydroxydocosa-4,7,13,16,19-pentaenoic acid
Basic Information
CAS
1345275-22-0
Multi CAS
No
Molecular Formula
C22H34O4
Molecular Weight
362.500000
Exact Mass
362.245710
SMILES
CC/C=C\C/C=C\C/C=C\CC(C(C/C=C\C/C=C\CCC(=O)O)O)O
InChI
InChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-11-14-17-20(23)21(24)18-15-12-9-10-13-16-19-22(25)26/h3-4,6-7,10-15,20-21,23-24H,2,5,8-9,16-19H2,1H3,(H,25,26)/b4-3-,7-6-,13-10-,14-11-,15-12-
InChIKey
OAZUCYZBXHOCES-UQZHZJRSSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.5
Rotatable bonds
15
H-bond acceptors
3
H-bond donors
3
Molar refractivity
107.96
TPSA
77.76
LogP / Solubility
WLOGP
4.71
MLOGP
4.17
XLogP3
4.3
Consensus LogP
4.39
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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