CAS RN: 606-84-8
3,3-DIPHENYLACRYLICACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250919 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS606-84-8
- Purity/Analytical Methods: >99.0%
606-84-8 / 3,3-diphenylprop-2-enoic acid
Basic Information
CAS
606-84-8
Multi CAS
No
Molecular Formula
C15H12O2
Molecular Weight
224.250000
Exact Mass
224.083730
InChI
InChI=1S/C15H12O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,(H,16,17)
InChIKey
WMJBVALTYVXGHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.6
TPSA
37.3
LogP / Solubility
WLOGP
3.2
MLOGP
2.82
XLogP3
3.8
Consensus LogP
3.27
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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