CAS RN: 108909-02-0
Confusarin
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.20260418 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS108909-02-0
- Purity/Analytical Methods: >99.0%
108909-02-0 / 1,5,6-trimethoxyphenanthrene-2,7-diol
Confusarin | 2,7-Phenanthrenediol, 1,5,6-trimethoxy- | 1,5,6-trimethoxyphenanthrene-2,7-diol
Basic Information
CAS
108909-02-0
Multi CAS
No
Molecular Formula
C17H16O5
Molecular Weight
300.300000
Exact Mass
300.099774
SMILES
COC1=C(C=CC2=C1C=CC3=CC(=C(C(=C32)OC)OC)O)O
InChI
InChI=1S/C17H16O5/c1-20-15-11-5-4-9-8-13(19)16(21-2)17(22-3)14(9)10(11)6-7-12(15)18/h4-8,18-19H,1-3H3
InChIKey
JHNVCKNCEVZGGC-UHFFFAOYSA-N
Synonyms
Confusarin
2,7-Phenanthrenediol, 1,5,6-trimethoxy-
1,5,6-trimethoxyphenanthrene-2,7-diol
CRH455ZW4X
UNII-CRH455ZW4X
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
14
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.44
TPSA
68.15
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
3.6
Consensus LogP
3.35
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
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)
-2.12
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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