CAS RN: 1810034-38-8
Curcumaromin A
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.20250530 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1810034-38-8
- Purity/Analytical Methods: >99.0%
1810034-38-8 / (1E,4Z,6E)-5-hydroxy-7-[4-hydroxy-3-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]phenyl]-1-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
Basic Information
CAS
1810034-38-8
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)C2=C(C=CC(=C2)/C=C/C(=C/C(=O)/C=C/C3=CC=C(C=C3)O)/O)O
InChI
InChI=1S/C29H32O4/c1-19(2)26-14-4-20(3)16-27(26)28-17-22(9-15-29(28)33)8-13-25(32)18-24(31)12-7-21-5-10-23(30)11-6-21/h5-13,15-19,26-27,30,32-33H,4,14H2,1-3H3/b12-7+,13-8+,25-18-/t26-,27+/m1/s1
InChIKey
DNEUCLLMJKOPAG-YIGFWXKBSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
134.06
TPSA
77.76
LogP / Solubility
WLOGP
6.93
MLOGP
6.13
XLogP3
7
Consensus LogP
6.69
Log S (ESOL)
-6.77
Class (ESOL)
Insoluble
Log S (Ali)
-8.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.14
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)
-0.51
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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