CAS RN: 52660-82-9
PENTABROMOPHENYL ACRYLATE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS52660-82-9
- Purity/Analytical Methods: >99.0%
52660-82-9 / (2,3,4,5,6-pentabromophenyl) prop-2-enoate
Basic Information
CAS
52660-82-9
Multi CAS
No
Molecular Formula
C9H3BR5O2
Molecular Weight
542.600000
Exact Mass
541.600890
InChI
InChI=1S/C9H3Br5O2/c1-2-3(15)16-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1H2
InChIKey
BKKVYNMMVYEBGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
80.77
TPSA
26.3
LogP / Solubility
WLOGP
5.59
MLOGP
4.96
XLogP3
5.7
Consensus LogP
5.42
Log S (ESOL)
-6.87
Class (ESOL)
Insoluble
Log S (Ali)
-8.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
CYCLO(-GLY-SER)
- CAS RN: 52661-98-0
- Product Code: starshine_CAS52661-98-0
- Purity/Analytical method: >99.0%
-
-
N-CYCLOHEXYLHYDRAZINECARBOXAMIDE
- CAS RN: 52662-76-7
- Product Code: starshine_CAS52662-76-7
- Purity/Analytical method: >99.0%
-
2,2′,3,4,4′,5′,6-HEPTACHLOROBIPHENYL
- CAS RN: 52663-69-1
- Product Code: starshine_CAS52663-69-1
- Purity/Analytical method: >99.0%
-
ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
- CAS RN: 52664-01-4
- Product Code: SSC-159773
![CAS 52664-01-4 ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52664-01-4.gif)