CAS RN: 2765-14-2
4,4′-DIBROMO-STILBENE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS2765-14-2
- Purity/Analytical Methods: >99.0%
2765-14-2 / 1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene
Basic Information
CAS
2765-14-2
Multi CAS
Yes
Molecular Formula
C14H10BR2
Molecular Weight
338.040000
Exact Mass
337.912880
InChI
InChI=1S/C14H10Br2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H/b2-1+
InChIKey
JEHMPNUQSJNJDL-OWOJBTEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
Molar refractivity
77.21
TPSA
0.0000
LogP / Solubility
WLOGP
5.38
MLOGP
4.75
XLogP3
5.6
Consensus LogP
5.24
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-0.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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