CAS RN: 72857-86-4
3,4-DIBROMO-5-PHENYL-2(5H)-FURANONE
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.20260405 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS72857-86-4
- Purity/Analytical Methods: >99.0%
72857-86-4 / 3,4-dibromo-2-phenyl-2H-furan-5-one
Basic Information
CAS
72857-86-4
Multi CAS
Yes
Molecular Formula
C10H6BR2O2
Molecular Weight
317.960000
Exact Mass
317.871410
InChI
InChI=1S/C10H6Br2O2/c11-7-8(12)10(13)14-9(7)6-4-2-1-3-5-6/h1-5,9H
InChIKey
NLXXYDCGRMDFBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.16
TPSA
26.3
LogP / Solubility
WLOGP
3.29
MLOGP
2.91
XLogP3
3.2
Consensus LogP
3.13
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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