![CAS 77387-64-5 1,2-bis[4-(1,1-dimethylethyl)phenyl]-2-hydroxyethan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/77387-64-5.gif)
CAS RN: 77387-64-5
1,2-bis[4-(1,1-dimethylethyl)phenyl]-2-hydroxyethan-1-one
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-186920
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
77387-64-5 / 1,2-bis(4-tert-butylphenyl)-2-hydroxyethanone
Basic Information
CAS
77387-64-5
Multi CAS
No
Molecular Formula
C22H28O2
Molecular Weight
324.500000
Exact Mass
324.208930
InChI
InChI=1S/C22H28O2/c1-21(2,3)17-11-7-15(8-12-17)19(23)20(24)16-9-13-18(14-10-16)22(4,5)6/h7-14,19,23H,1-6H3
InChIKey
RPEDYDVPZFYPOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
99.57
TPSA
37.3
LogP / Solubility
WLOGP
5.2
MLOGP
4.59
XLogP3
5.5
Consensus LogP
5.1
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.44
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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