CAS RN: 60831-46-1
Didemethyl Curcumin
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.20260430 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS60831-46-1
- Purity/Analytical Methods: >99.0%
60831-46-1 / 1,7-bis(3,4-dihydroxyphenyl)hepta-1,6-diene-3,5-dione
Basic Information
CAS
60831-46-1
Multi CAS
Yes
Molecular Formula
C19H16O6
Molecular Weight
340.300000
Exact Mass
340.094688
InChI
InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2/b5-1+,6-2+
InChIKey
OJFGQVZAISEIPG-IJIVKGSJSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.05
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
92.24
TPSA
115.06
LogP / Solubility
WLOGP
2.76
MLOGP
2.45
XLogP3
2.5
Consensus LogP
2.57
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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