CAS RN: 144429-84-5
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251003 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251221 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250320 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20251208 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250607 | 25g | Out of stock | Inquiry | |
| Batchno.20250407 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS144429-84-5
- Purity/Analytical Methods: >99.0%
144429-84-5 / 2-ethylhexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Basic Information
CAS
144429-84-5
Multi CAS
No
Molecular Formula
C25H42O3
Molecular Weight
390.600000
Exact Mass
390.313395
SMILES
CCCCC(CC)COC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C25H42O3/c1-9-11-12-18(10-2)17-28-22(26)14-13-19-15-20(24(3,4)5)23(27)21(16-19)25(6,7)8/h15-16,18,27H,9-14,17H2,1-8H3
InChIKey
YSLFJMFSTOJEDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
118.09
TPSA
46.53
LogP / Solubility
WLOGP
6.68
MLOGP
5.9
XLogP3
8.1
Consensus LogP
6.89
Log S (ESOL)
-6.03
Class (ESOL)
Insoluble
Log S (Ali)
-7.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.82
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)
-0.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 37 of 37 companies. For more detailed information, please visit ECHA C&L website.
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