CAS RN: 70205-52-6
2,4,7-Trihydroxy-9,10-dihydrophenanthrene
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.20260505 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS70205-52-6
- Purity/Analytical Methods: >99.0%
70205-52-6 / 9,10-dihydrophenanthrene-2,4,7-triol
Basic Information
CAS
70205-52-6
Multi CAS
No
Molecular Formula
C14H12O3
Molecular Weight
228.240000
Exact Mass
228.078644
InChI
InChI=1S/C14H12O3/c15-10-3-4-12-8(5-10)1-2-9-6-11(16)7-13(17)14(9)12/h3-7,15-17H,1-2H2
InChIKey
FZQKVXUXKVNUBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
3
Molar refractivity
64.28
TPSA
60.69
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
2.8
Consensus LogP
2.54
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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