CAS RN: 870703-70-1
2-BroMo-2′,6′-diisopropoxy-1,1′-biphenyl
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.20250123 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: LINB920637
870703-70-1 / 2-(2-bromophenyl)-1,3-di(propan-2-yloxy)benzene
Basic Information
CAS
870703-70-1
Multi CAS
No
Molecular Formula
C18H21BRO2
Molecular Weight
349.300000
Exact Mass
348.072490
InChI
InChI=1S/C18H21BrO2/c1-12(2)20-16-10-7-11-17(21-13(3)4)18(16)14-8-5-6-9-15(14)19/h5-13H,1-4H3
InChIKey
SHUUMGHTDLOJAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
91.11
TPSA
18.46
LogP / Solubility
WLOGP
5.69
MLOGP
5.03
XLogP3
5.8
Consensus LogP
5.51
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.25
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
