CAS RN: 787-69-9
4,4′-Diacetylbiphenyl
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
- Product code: SSC-188040
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: 25g, 5g, 100g, 1g, 10g, 1000g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 25g | -- | 4 In Stock | Shanghai | Inquiry |
| 25g | >97% | 4 In Stock | Beijing | Inquiry |
| 5g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 100g | -- | 1 In Stock | Beijing | Inquiry |
| 100g | >97% | 1 In Stock | Shanghai | Inquiry |
| 1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 1g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
787-69-9 / 1-[4-(4-acetylphenyl)phenyl]ethanone
Basic Information
CAS
787-69-9
Multi CAS
Yes
Molecular Formula
C16H14O2
Molecular Weight
238.280000
Exact Mass
238.099380
InChI
InChI=1S/C16H14O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
InChIKey
YSTSBXDVNKYPTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
71.89
TPSA
34.14
LogP / Solubility
WLOGP
3.76
MLOGP
3.31
XLogP3
3.7
Consensus LogP
3.59
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
