CAS RN: 2411999-52-3
Sepiumol 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.20260318 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2411999-52-3
- Purity/Analytical Methods: >99.0%
2411999-52-3 / 2-hydroxy-5-[[2-hydroxy-5-[(2-hydroxy-4-methoxyphenyl)methyl]-4-methoxyphenyl]methyl]-4-methoxybenzaldehyde
Basic Information
CAS
2411999-52-3
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=CC(=C(C=C3OC)O)C=O)O
InChI
InChI=1S/C24H24O7/c1-29-19-5-4-14(20(26)10-19)6-16-7-15(21(27)11-23(16)30-2)8-17-9-18(13-25)22(28)12-24(17)31-3/h4-5,7,9-13,26-28H,6,8H2,1-3H3
InChIKey
ISIUBTXAUJTCIZ-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
Customers Also Viewed
-
(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)glycine
- CAS RN: 2412056-27-8
- Product Code: SSC-117654
-
Sepiumol C
- CAS RN: 2412138-09-9
- Product Code: starshine_CAS2412138-09-9
- Purity/Analytical method: >99.0%
-
Acetamide, N-[4-(6-chloro-2-quinoxalinyl)phenyl]-
- CAS RN: 2412270-22-3
- Product Code: starshine_CAS2412270-22-3
- Purity/Analytical method: >99.0%
-
1,3,5-Triazine, 2-[1,1′-biphenyl]-2-yl-4-[1,1′-biphenyl]-4-yl-6-(3-chlorophenyl)-
- CAS RN: 2412445-74-8
- Product Code: starshine_CAS2412445-74-8
- Purity/Analytical method: >99.0%
-
(3aS,8aR)-2-(5-(trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole
- CAS RN: 2412578-71-1
- Product Code: SSC-117686
-
7H-Pyrrolo[2,3-c]pyridin-7-one, 4-bromo-1,6-dihydro-1,6-dimethyl-
- CAS RN: 2412985-61-4
- Product Code: starshine_CAS2412985-61-4
- Purity/Analytical method: >99.0%
![CAS 2412270-22-3 Acetamide, N-[4-(6-chloro-2-quinoxalinyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2412270-22-3.gif)
![CAS 2412445-74-8 1,3,5-Triazine, 2-[1,1′-biphenyl]-2-yl-4-[1,1′-biphenyl]-4-yl-6-(3-chlorophenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2412445-74-8.gif)
![CAS 2412578-71-1 (3aS,8aR)-2-(5-(trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2412578-71-1.gif)
![CAS 2412985-61-4 7H-Pyrrolo[2,3-c]pyridin-7-one, 4-bromo-1,6-dihydro-1,6-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2412985-61-4.gif)