CAS RN: 877459-63-7
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-(2-hydroxyethyl)icosa-6,8,10,14-tetraenamide
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.20250216 | 50μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS877459-63-7
- Purity/Analytical Methods: >99.0%
877459-63-7 / (5S,12R)-5,12-dihydroxy-N-(2-hydroxyethyl)icosa-6,8,10,14-tetraenamide
Basic Information
CAS
877459-63-7
Multi CAS
Yes
Molecular Formula
C22H37NO4
Molecular Weight
379.500000
Exact Mass
379.272259
InChI
InChI=1S/C22H37NO4/c1-2-3-4-5-6-9-13-20(25)14-10-7-8-11-15-21(26)16-12-17-22(27)23-18-19-24/h6-11,14-15,20-21,24-26H,2-5,12-13,16-19H2,1H3,(H,23,27)/b8-7+,9-6-,14-10+,15-11-/t20-,21-/m1/s1
InChIKey
DQLVVNIINUTUIU-XLFGVTECSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.59
Rotatable bonds
16
H-bond acceptors
4
H-bond donors
4
Molar refractivity
111.28
TPSA
89.79
LogP / Solubility
WLOGP
3.18
MLOGP
2.82
XLogP3
3.2
Consensus LogP
3.07
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.69
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 877468-30-9 2-(1-naphthylmethylene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-(1-naphthylmethylene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
- CAS RN: 877468-30-9
- Product Code: starshine_CAS877468-30-9
- Purity/Analytical method: >99.0%
-
(3-HYDROXYMETHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
- CAS RN: 877593-11-8
- Product Code: SSC-198034
-
1-[3-(2-methylpropyl)phenyl]ethan-1-one
- CAS RN: 877612-13-0
- Product Code: starshine_CAS877612-13-0
- Purity/Analytical method: >99.0%
-
-
-
5-[(4-Nitrobenzoyl)oxy]-2-[(2-pyrimidinylthio)methyl]-4H-pyran-4-one
- CAS RN: 877636-42-5
- Product Code: SSC-198041
![CAS 877468-30-9 2-(1-naphthylmethylene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/877468-30-9.gif)
![CAS 877612-13-0 1-[3-(2-methylpropyl)phenyl]ethan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/877612-13-0.gif)
![CAS 877636-42-5 5-[(4-Nitrobenzoyl)oxy]-2-[(2-pyrimidinylthio)methyl]-4H-pyran-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/877636-42-5.gif)