CAS RN: 284492-13-3
3-(3,4-DICHLORO-PHENYL)-3-(9 H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-PROPIONIC ACID
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.20251221 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS284492-13-3
- Purity/Analytical Methods: >99.0%
284492-13-3 / 3-(3,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
284492-13-3
Multi CAS
No
Molecular Formula
C24H19CL2NO4
Molecular Weight
456.300000
Exact Mass
455.069114
InChI
InChI=1S/C24H19Cl2NO4/c25-20-10-9-14(11-21(20)26)22(12-23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)
InChIKey
SGDNJQVPUTXLPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
119.66
TPSA
75.63
LogP / Solubility
WLOGP
6.05
MLOGP
5.35
XLogP3
5.3
Consensus LogP
5.57
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-7.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 284492-23-5 3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-THIENYL)PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/284492-23-5.png)
