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CAS 291766-06-8 1-BROMO-2,5-BIS(3-CARBOXY-4-HYDROXYSTYRYL)BENZENE molecular structure lightbox
CAS RN: 291766-06-8

1-BROMO-2,5-BIS(3-CARBOXY-4-HYDROXYSTYRYL)BENZENE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250718 100mg Out of stock Inquiry
Batchno.20250127 10mg In stock Shanghai Inquiry
Batchno.20250219 25mg In stock Shanghai Inquiry
Batchno.20260531 50mg In stock Shanghai Inquiry
Batchno.20260508 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS291766-06-8
  • Purity/Analytical Methods: >99.0%
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291766-06-8 / 5-[(E)-2-[3-bromo-4-[(E)-2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid

Standard CAS: 291766-06-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
291766-06-8
Multi CAS
Yes
Molecular Formula
C24H17BRO6
Molecular Weight
481.300000
Exact Mass
480.020850
InChI
InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1+,7-3+
InChIKey
ZVECSLHUCRIBDY-WMWQKROPSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
122.13
TPSA
115.06

LogP / Solubility

WLOGP
5.6
MLOGP
4.96
XLogP3
6.6
Consensus LogP
5.72
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68

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
2.5

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