[email protected]
CAS 24063-27-2 4,6-Dibromoisophthalic acid molecular structure lightbox
CAS RN: 24063-27-2

4,6-Dibromoisophthalic acid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: LIND914147
GET A QUOTE

24063-27-2 / 4,6-dibromobenzene-1,3-dicarboxylic acid

Standard CAS: 24063-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24063-27-2
Multi CAS
No
Molecular Formula
C8H4Br2O4
Molecular Weight
323.920000
Exact Mass
323.845580
SMILES
C1=C(C(=CC(=C1C(=O)O)Br)Br)C(=O)O
InChI
InChI=1S/C8H4Br2O4/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2H,(H,11,12)(H,13,14)
InChIKey
UDCSURCKPULYEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.76
TPSA
74.6

LogP / Solubility

WLOGP
2.61
MLOGP
2.31
XLogP3
2.4
Consensus LogP
2.44
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us