CAS RN: 209223-84-7
1-(2-broMophenyl)-2-Methylpropan-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.20250731 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS209223-84-7
- Purity/Analytical Methods: >99.0%
209223-84-7 / 1-(2-bromophenyl)-2-methylpropan-1-one
Basic Information
CAS
209223-84-7
Multi CAS
No
Molecular Formula
C10H11BrO
Molecular Weight
227.100000
Exact Mass
225.999330
SMILES
CC(C)C(=O)C1=CC=CC=C1Br
InChI
InChI=1S/C10H11BrO/c1-7(2)10(12)8-5-3-4-6-9(8)11/h3-7H,1-2H3
InChIKey
ZFCRURYZCFPFMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
53.31
TPSA
17.07
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
3.3
Consensus LogP
3.16
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
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
-
-
5-(3-TRIFLUOROMETHYL-PHENYL)-2H-PYRAZOL-3-YLAMINE
- CAS RN: 209224-91-9
- Product Code: SSC-098930
-
4-bromo-2,3-dihydro-1H-indene-2-carboxylic acid
- CAS RN: 209224-95-3
- Product Code: SSC-098931
-
-
-
