CAS RN: 179113-91-8
NAGLY
Product Availability
Choose a grade to view its available package options.
10 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250410 | 5mg / 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250212 | 100mg | Out of stock | Inquiry | |
| Batchno.20251219 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251203 | 250mg | Out of stock | Inquiry | |
| Batchno.20250420 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250815 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251111 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS179113-91-8
- Purity/Analytical Methods: >99.0%
179113-91-8 / 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acid
Basic Information
CAS
179113-91-8
Multi CAS
No
Molecular Formula
C22H35NO3
Molecular Weight
361.500000
Exact Mass
361.261694
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O
InChI
InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-
InChIKey
YLEARPUNMCCKMP-DOFZRALJSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.55
Rotatable bonds
16
H-bond acceptors
2
H-bond donors
2
Molar refractivity
109.05
TPSA
66.4
LogP / Solubility
WLOGP
5.33
MLOGP
4.71
XLogP3
5.6
Consensus LogP
5.21
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.36
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.14
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
2.5
Customers Also Viewed
-
4-AMINOCARBONYLPHENYLBORONIC ACID, PINACOL ESTER
- CAS RN: 179117-44-3
- Product Code: SSC-079813
-
(4-Bromo-3-Chlorophenoxy)(Tert-Butyl)Dimethylsilane
- CAS RN: 179120-53-7
- Product Code: SSC-079815
-
TETRAKIS[(S)-(-)-N-(P-DODECYLPHENYLSULFONYL)PROLINATO]DIRHODIUM(II)
- CAS RN: 179162-34-6
- Product Code: starshine_CAS179162-34-6
- Purity/Analytical method: >99.0%
-
4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoic acid
- CAS RN: 179162-55-1
- Product Code: SSC-079829
-
-
tert-butyl 2-(bis(2-aminoethyl)amino)ethylcarbamate
- CAS RN: 179167-09-0
- Product Code: SSC-079831
![CAS 179162-34-6 TETRAKIS[(S)-(-)-N-(P-DODECYLPHENYLSULFONYL)PROLINATO]DIRHODIUM(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/179162-34-6.gif)
