CAS RN: 79157-36-1
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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 | 30 business days | Inquiry |
- Product code: starshine_CAS79157-36-1
- Purity/Analytical Methods: >99.0%
79157-36-1 / 7-hydroxy-3,6-dimethoxy-9-phenylphenanthrene-1,4-dione
Basic Information
CAS
79157-36-1
Multi CAS
No
Molecular Formula
C22H16O5
Molecular Weight
360.400000
Exact Mass
360.099774
InChI
InChI=1S/C22H16O5/c1-26-19-10-15-14(9-18(19)24)13(12-6-4-3-5-7-12)8-16-17(23)11-20(27-2)22(25)21(15)16/h3-11,24H,1-2H3
InChIKey
WAAZBXYZFBGWND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
101.35
TPSA
72.83
LogP / Solubility
WLOGP
4.13
MLOGP
3.65
XLogP3
4.1
Consensus LogP
3.96
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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- CAS RN: 79183-19-0
- Product Code: starshine_CAS79183-19-0
- Purity/Analytical method: >99.0%
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