CAS RN: 1810034-40-2
Curcumaromin C
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.20250218 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1810034-40-2
- Purity/Analytical Methods: >99.0%
1810034-40-2 / (1E,6E)-1,7-bis(4-hydroxyphenyl)-4-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]hepta-1,6-diene-3,5-dione
Basic Information
CAS
1810034-40-2
Multi CAS
No
Molecular Formula
C29H32O4
Molecular Weight
444.600000
Exact Mass
444.230060
SMILES
CC1=C[C@@H]([C@H](CC1)C(C)C)C(C(=O)/C=C/C2=CC=C(C=C2)O)C(=O)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C29H32O4/c1-19(2)25-15-4-20(3)18-26(25)29(27(32)16-9-21-5-11-23(30)12-6-21)28(33)17-10-22-7-13-24(31)14-8-22/h5-14,16-19,25-26,29-31H,4,15H2,1-3H3/b16-9+,17-10+/t25-,26+/m1/s1
InChIKey
XPEWDUSWUQJRDO-WUDRIEKWSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
132.59
TPSA
74.6
LogP / Solubility
WLOGP
6.21
MLOGP
5.49
XLogP3
6.3
Consensus LogP
6
Log S (ESOL)
-6.25
Class (ESOL)
Insoluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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