CAS RN: 886747-62-2
Phoyunbene B
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.20251230 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS886747-62-2
- Purity/Analytical Methods: >99.0%
886747-62-2 / 4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2,3-dimethoxyphenol
Basic Information
CAS
886747-62-2
Multi CAS
No
Molecular Formula
C17H18O5
Molecular Weight
302.320000
Exact Mass
302.115424
InChI
InChI=1S/C17H18O5/c1-20-14-9-11(8-13(18)10-14)4-5-12-6-7-15(19)17(22-3)16(12)21-2/h4-10,18-19H,1-3H3/b5-4+
InChIKey
VACLJIVMBBSOOR-SNAWJCMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.8
TPSA
68.15
LogP / Solubility
WLOGP
3.29
MLOGP
2.91
XLogP3
3.4
Consensus LogP
3.2
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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