CAS RN: 2412138-09-9
Sepiumol 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.20250717 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2412138-09-9
- Purity/Analytical Methods: >99.0%
2412138-09-9 / 2-hydroxy-3-[[2-hydroxy-5-[(2-hydroxy-4-methoxyphenyl)methyl]-4-methoxyphenyl]methyl]-4-methoxybenzaldehyde
Basic Information
CAS
2412138-09-9
Multi CAS
No
Molecular Formula
C24H24O7
Molecular Weight
424.400000
Exact Mass
424.152203
SMILES
COC1=CC(=C(C=C1)CC2=CC(=C(C=C2OC)O)CC3=C(C=CC(=C3O)C=O)OC)O
InChI
InChI=1S/C24H24O7/c1-29-18-6-4-14(20(26)11-18)8-17-9-16(21(27)12-23(17)31-3)10-19-22(30-2)7-5-15(13-25)24(19)28/h4-7,9,11-13,26-28H,8,10H2,1-3H3
InChIKey
AMQSQVAEEQMNSA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
3
Molar refractivity
114.98
TPSA
105.45
LogP / Solubility
WLOGP
3.82
MLOGP
3.39
XLogP3
4.6
Consensus LogP
3.94
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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