CAS RN: 167278-41-3
9-Hydroxyeriobofuran
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.20250409 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS167278-41-3
- Purity/Analytical Methods: >99.0%
167278-41-3 / 6,8-dimethoxydibenzofuran-1,7-diol
Basic Information
CAS
167278-41-3
Multi CAS
No
Molecular Formula
C14H12O5
Molecular Weight
260.240000
Exact Mass
260.068473
SMILES
COC1=C(C(=C2C(=C1)C3=C(C=CC=C3O2)O)OC)O
InChI
InChI=1S/C14H12O5/c1-17-10-6-7-11-8(15)4-3-5-9(11)19-13(7)14(18-2)12(10)16/h3-6,15-16H,1-2H3
InChIKey
VQWSIJRLYROCFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
70.15
TPSA
72.06
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
2.9
Consensus LogP
2.86
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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