CAS RN: 885101-89-3
GW9508
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250627 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250501 | 1g | Out of stock | Inquiry | |
| Batchno.20260124 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250115 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260315 | 50mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250819 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS885101-89-3
- Purity/Analytical Methods: >99.0%
885101-89-3 / 3-[4-[(3-phenoxyphenyl)methylamino]phenyl]propanoic acid
Basic Information
CAS
885101-89-3
Multi CAS
Yes
Molecular Formula
C22H21NO3
Molecular Weight
347.400000
Exact Mass
347.152144
InChI
InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
InChIKey
DGENZVKCTGIDRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
102.68
TPSA
58.56
LogP / Solubility
WLOGP
5.11
MLOGP
4.51
XLogP3
4.7
Consensus LogP
4.77
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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