CAS RN: 166197-43-9
Callosin
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.20250608 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS166197-43-9
- Purity/Analytical Methods: >99.0%
166197-43-9 / 4,7-dimethoxy-9,10-dihydrophenanthrene-2,6-diol
Basic Information
CAS
166197-43-9
Multi CAS
No
Molecular Formula
C16H16O4
Molecular Weight
272.290000
Exact Mass
272.104859
SMILES
COC1=CC(=CC2=C1C3=CC(=C(C=C3CC2)OC)O)O
InChI
InChI=1S/C16H16O4/c1-19-14-6-9-3-4-10-5-11(17)7-15(20-2)16(10)12(9)8-13(14)18/h5-8,17-18H,3-4H2,1-2H3
InChIKey
RQIIPCKHAHBFOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.72
TPSA
58.92
LogP / Solubility
WLOGP
2.88
MLOGP
2.54
XLogP3
3.1
Consensus LogP
2.84
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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