![CAS 62333-08-8 4-[[2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxybenzofuran-5-yl]methyl]-4,5-dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]furan-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/62333-08-8.gif)
CAS RN: 62333-08-8
4-[[2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxybenzofuran-5-yl]methyl]-4,5-dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]furan-2(3H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260608 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS62333-08-8
- Purity/Analytical Methods: >99.0%
62333-08-8 / 4-[[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Basic Information
CAS
62333-08-8
Multi CAS
Yes
Molecular Formula
C30H32O9
Molecular Weight
536.600000
Exact Mass
536.204633
InChI
InChI=1S/C30H32O9/c1-35-25-11-16(4-6-23(25)32)9-20-19(15-38-30(20)34)8-17-10-21-22(14-31)28(39-29(21)27(12-17)37-3)18-5-7-24(33)26(13-18)36-2/h4-7,10-13,19-20,22,28,31-33H,8-9,14-15H2,1-3H3
InChIKey
PYLYQTVVQXPBIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
18
Fraction Csp3
0.37
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
3
Molar refractivity
140.85
TPSA
123.91
LogP / Solubility
WLOGP
3.91
MLOGP
3.48
XLogP3
3.9
Consensus LogP
3.76
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.47
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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