CAS RN: 300670-16-0
N-(4-BROMOPHENYL)-3-{[(4-BROMOPHENYL)AMI
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS300670-16-0
- Purity/Analytical Methods: >99.0%
300670-16-0 / N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide
Basic Information
CAS
300670-16-0
Multi CAS
No
Molecular Formula
C19H14BR2N2O3S
Molecular Weight
510.200000
Exact Mass
509.907140
InChI
InChI=1S/C19H14Br2N2O3S/c20-14-4-8-16(9-5-14)22-19(24)13-2-1-3-18(12-13)27(25,26)23-17-10-6-15(21)7-11-17/h1-12,23H,(H,22,24)
InChIKey
SJJKUNDBFWUAQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
113.49
TPSA
75.27
LogP / Solubility
WLOGP
5.26
MLOGP
4.67
XLogP3
4.7
Consensus LogP
4.88
Log S (ESOL)
-6.48
Class (ESOL)
Insoluble
Log S (Ali)
-7.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
2.5
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