CAS RN: 92152-08-4
1,6-difuryl-1,5-hexadiene-3,4-dione
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.20260701 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS92152-08-4
- Purity/Analytical Methods: >99.0%
92152-08-4 / (1E,5E)-1,6-bis(furan-2-yl)hexa-1,5-diene-3,4-dione
Basic Information
CAS
92152-08-4
Multi CAS
Yes
Molecular Formula
C14H10O4
Molecular Weight
242.230000
Exact Mass
242.057909
InChI
InChI=1S/C14H10O4/c15-13(7-5-11-3-1-9-17-11)14(16)8-6-12-4-2-10-18-12/h1-10H
InChIKey
NUOLJIJNXPXAID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
65.5
TPSA
60.42
LogP / Solubility
WLOGP
2.74
MLOGP
2.41
XLogP3
2
Consensus LogP
2.38
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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