![CAS 83170-17-6 [bromo(difluoro)methyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83170-17-6.gif)
CAS RN: 83170-17-6
[bromo(difluoro)methyl]benzene
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS83170-17-6
- Purity/Analytical Methods: >99.0%
83170-17-6 / [bromo(difluoro)methyl]benzene
Basic Information
CAS
83170-17-6
Multi CAS
No
Molecular Formula
BC7H5Rf2
Molecular Weight
207.010000
Exact Mass
205.954270
InChI
InChI=1S/C7H5BrF2/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey
RINSMVSYCNNAGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.26
TPSA
0.0000
LogP / Solubility
WLOGP
3.13
MLOGP
2.76
XLogP3
3.4
Consensus LogP
3.1
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly 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)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Kaempferol 3-O-rhamninoside
- CAS RN: 83170-31-4
- Product Code: starshine_CAS83170-31-4
- Purity/Analytical method: >99.0%
-
-
-
3-bromo-5-(tert-butyl)-2-methylthiophene(WXC08251)
- CAS RN: 83174-17-8
- Product Code: SSC-191081
-
3-(5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID
- CAS RN: 83178-70-5
- Product Code: SSC-191082
-
7-CHLOROTHIENO[3,2-B]PYRIDINE-6-CARBOXYLIC ACID
- CAS RN: 83179-01-5
- Product Code: SSC-191083
![CAS 83179-01-5 7-CHLOROTHIENO[3,2-B]PYRIDINE-6-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83179-01-5.gif)