CAS RN: 87205-99-0
Dihydrotanshinone I
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251119 | 10mg / 20mg / 50mg / 200mg / 1g | Confirm by inquiry | Shanghai, Shandong, Chongqing, Hebei | 5-7 business days | Inquiry |
- Product code: ICTD5379
- Purity/Analytical Methods: >97.0%(HPLC)
87205-99-0 / 1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione
Basic Information
CAS
87205-99-0
Multi CAS
Yes
Molecular Formula
C18H14O3
Molecular Weight
278.300000
Exact Mass
278.094294
InChI
InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3
InChIKey
HARGZZNYNSYSGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.22
H-bond acceptors
3
Molar refractivity
80.06
TPSA
43.37
LogP / Solubility
WLOGP
3.29
MLOGP
2.91
XLogP3
3.2
Consensus LogP
3.13
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
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)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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