CAS RN: 62856-20-6
2-(4-Bromophenyl)-1-(4-methylphenyl)ethan-1-one
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.20260225 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS62856-20-6
- Purity/Analytical Methods: >99.0%
62856-20-6 / 2-(4-bromophenyl)-1-(4-methylphenyl)ethanone
Basic Information
CAS
62856-20-6
Multi CAS
No
Molecular Formula
C15H13BRO
Molecular Weight
289.170000
Exact Mass
288.014980
InChI
InChI=1S/C15H13BrO/c1-11-2-6-13(7-3-11)15(17)10-12-4-8-14(16)9-5-12/h2-9H,10H2,1H3
InChIKey
SFAFJUWUWHVTQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
73.36
TPSA
17.07
LogP / Solubility
WLOGP
4.18
MLOGP
3.69
XLogP3
4.2
Consensus LogP
4.02
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Rhamnetin 3-O-beta-D-galactopyranoside
- CAS RN: 62858-07-5
- Product Code: starshine_CAS62858-07-5
- Purity/Analytical method: >99.0%
-
-
-
-
-
