CAS RN: 187224-29-9
ARA-S
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260206 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS187224-29-9
- Purity/Analytical Methods: >99.0%
187224-29-9 / (2S)-3-hydroxy-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid
Basic Information
CAS
187224-29-9
Multi CAS
No
Molecular Formula
C23H37NO4
Molecular Weight
391.500000
Exact Mass
391.272259
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)24-21(20-25)23(27)28/h6-7,9-10,12-13,15-16,21,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-
InChIKey
FQUVPTVNRMUOPO-DOFZRALJSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.57
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
3
Molar refractivity
115.06
TPSA
86.63
LogP / Solubility
WLOGP
4.69
MLOGP
4.15
XLogP3
5
Consensus LogP
4.61
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.14
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)
-1.78
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
Customers Also Viewed
-
-
5-Thiazolesulfonamide,2-amino-4-methyl-(9CI)
- CAS RN: 187230-38-2
- Product Code: SSC-087008
-
(S)-2-NITRO-6,7-DIHYDRO-5H-IMIDAZO[2,1-B][1,3]OXAZIN-6-OL
- CAS RN: 187235-08-1
- Product Code: SSC-087013
-
TERT-BUTYL [(5-(AMINOMETHYL)PYRIDIN-2-YL]CARBAMATE
- CAS RN: 187237-37-2
- Product Code: SSC-087015
-
1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, 4,10-bis[(phenylmethoxy)carbonyl]-, 1,7-bis(1,1-dimethylethyl) ester
- CAS RN: 187240-78-4
- Product Code: SSC-087022
-
(E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one
- CAS RN: 187242-85-9
- Product Code: SSC-087025
![CAS 187235-08-1 (S)-2-NITRO-6,7-DIHYDRO-5H-IMIDAZO[2,1-B][1,3]OXAZIN-6-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/187235-08-1.gif)
![CAS 187237-37-2 TERT-BUTYL [(5-(AMINOMETHYL)PYRIDIN-2-YL]CARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/187237-37-2.gif)
![CAS 187240-78-4 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, 4,10-bis[(phenylmethoxy)carbonyl]-, 1,7-bis(1,1-dimethylethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/187240-78-4.gif)
