CAS RN: 852138-93-3
2,2′-Dibromo-4,4′-diiodo-1,1′-biphenyl
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS852138-93-3
- Purity/Analytical Methods: >99.0%
852138-93-3 / 2-bromo-1-(2-bromo-4-iodophenyl)-4-iodobenzene
Basic Information
CAS
852138-93-3
Multi CAS
No
Molecular Formula
C12H6BR2I2
Molecular Weight
563.790000
Exact Mass
563.690520
InChI
InChI=1S/C12H6Br2I2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14/h1-6H
InChIKey
MJZNAWMPPSJRJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
92.71
TPSA
0.0000
LogP / Solubility
WLOGP
6.09
MLOGP
5.4
XLogP3
6.2
Consensus LogP
5.9
Log S (ESOL)
-7.66
Class (ESOL)
Insoluble
Log S (Ali)
-8.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
KR-32568
- CAS RN: 852146-73-7
- Product Code: starshine_CAS852146-73-7
- Purity/Analytical method: >99.0%
-
5′-Guanylic acid, 7-methyl-, monoanhydride with 1Himidazol-1-ylphosphonic acid, disodium salt
- CAS RN: 852155-68-1
- Product Code: starshine_CAS852155-68-1
- Purity/Analytical method: >99.0%
-
HAEGT
- CAS RN: 852155-81-8
- Product Code: starshine_CAS852155-81-8
- Purity/Analytical method: >99.0%
-
S-DesMethyl CitalopraM Ethanedioate
- CAS RN: 852172-06-6
- Product Code: starshine_CAS852172-06-6
- Purity/Analytical method: >99.0%
-
4-[3-(BROMOMETHYL)PHENYL]-2-METHYL-1,3-THIAZOLE
- CAS RN: 852180-42-8
- Product Code: SSC-193461
-
![CAS 852180-42-8 4-[3-(BROMOMETHYL)PHENYL]-2-METHYL-1,3-THIAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852180-42-8.gif)
