Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 25g, 100g, 500g
- Available purity: ≥97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 100g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 500g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
614-47-1 / 1,3-diphenylprop-2-en-1-one
Basic Information
CAS
614-47-1
Multi CAS
Yes
Molecular Formula
C15H12O
Molecular Weight
208.250000
Exact Mass
208.088815
InChI
InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H
InChIKey
DQFBYFPFKXHELB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
66.25
TPSA
17.07
LogP / Solubility
WLOGP
3.58
MLOGP
3.15
XLogP3
3.1
Consensus LogP
3.28
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
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)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
TOLYLENE 2,5-DIISOCYANATE
- CAS RN: 614-90-4
- Product Code: starshine_CAS614-90-4
- Purity/Analytical method: >99.0%
-
-
-
