CAS RN: 2036328-15-9
Benzaldehyde, 3,3′,3”,3”’-(1,2-ethenediylidene)tetrakis[6-hydroxy-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260520 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINB887162
2036328-15-9 / 2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde
Basic Information
CAS
2036328-15-9
Multi CAS
No
Molecular Formula
C30H20O8
Molecular Weight
508.500000
Exact Mass
508.115818
SMILES
C1=CC(=C(C=C1C(=C(C2=CC(=C(C=C2)O)C=O)C3=CC(=C(C=C3)O)C=O)C4=CC(=C(C=C4)O)C=O)C=O)O
InChI
InChI=1S/C30H20O8/c31-13-21-9-17(1-5-25(21)35)29(18-2-6-26(36)22(10-18)14-32)30(19-3-7-27(37)23(11-19)15-33)20-4-8-28(38)24(12-20)16-34/h1-16,35-38H
InChIKey
GUHLLWSXHXBUGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
24
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
4
Molar refractivity
139
TPSA
149.2
LogP / Solubility
WLOGP
4.77
MLOGP
4.23
XLogP3
6.6
Consensus LogP
5.2
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.88
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
BENZO(A)FLUORANTHENE
- CAS RN: 203-33-8
- Product Code: starshine_CAS203-33-8
- Purity/Analytical method: >99.0%
-
-
phenalene
- CAS RN: 203-80-5
- Product Code: starshine_CAS203-80-5
- Purity/Analytical method: >99.0%
-
-
-
