CAS RN: 89946-08-7
3-Hydroxydocosanoic acid
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.20260504 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89946-08-7
- Purity/Analytical Methods: >99.0%
89946-08-7 / 3-hydroxydocosanoic acid
Basic Information
CAS
89946-08-7
Multi CAS
No
Molecular Formula
C22H44O3
Molecular Weight
356.600000
Exact Mass
356.329045
InChI
InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
InChIKey
PNPWTPYWWUOMDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.95
Rotatable bonds
20
H-bond acceptors
2
H-bond donors
2
Molar refractivity
107.04
TPSA
57.53
LogP / Solubility
WLOGP
6.86
MLOGP
6.06
XLogP3
9
Consensus LogP
7.31
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.07
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)
-0.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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