![CAS 79447-10-2 Methanone, [1,1′-biphenyl]-4-yl(3-methoxyphenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/79447-10-2.gif)
CAS RN: 79447-10-2
Methanone, [1,1′-biphenyl]-4-yl(3-methoxyphenyl)-
- Product code: SSC-188607
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
79447-10-2 / (3-methoxyphenyl)-(4-phenylphenyl)methanone
Basic Information
CAS
79447-10-2
Multi CAS
No
Molecular Formula
C20H16O2
Molecular Weight
288.300000
Exact Mass
288.115030
InChI
InChI=1S/C20H16O2/c1-22-19-9-5-8-18(14-19)20(21)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-14H,1H3
InChIKey
YFKPNQBRKCNHMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
88.3
TPSA
26.3
LogP / Solubility
WLOGP
4.59
MLOGP
4.05
XLogP3
4.9
Consensus LogP
4.51
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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)
-1.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
