CAS RN: 2353782-16-6
2-(2,4-dibromophenyl)-2-methyl-propanoic acid
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.20251208 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2353782-16-6
- Purity/Analytical Methods: >99.0%
2353782-16-6 / 2-(2,4-dibromophenyl)-2-methylpropanoic acid
Basic Information
CAS
2353782-16-6
Multi CAS
No
Molecular Formula
C10H10Br2O2
Molecular Weight
321.990000
Exact Mass
321.902710
SMILES
CC(C)(C1=C(C=C(C=C1)Br)Br)C(=O)O
InChI
InChI=1S/C10H10Br2O2/c1-10(2,9(13)14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3,(H,13,14)
InChIKey
MNRCMUDIISJKND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.5
TPSA
37.3
LogP / Solubility
WLOGP
3.57
MLOGP
3.16
XLogP3
3.7
Consensus LogP
3.48
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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