CAS RN: 568-72-9

Tanshinone IIA

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20 package records19 with current stock5 grade groups
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Batchno.20260102 100mg In stock Inquiry
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Batchno.20250829 250mg In stock Inquiry
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Batchno.20250326 100mg In stock Shanghai, Tianjin Inquiry
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Batchno.20250927 250mg In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
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Batchno.20260524 5g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
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Batchno.20251023 20mg In stock Shanghai Inquiry
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Batchno.20250919 20mg In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: ICTT2987
  • Purity/Analytical Methods: >97.0%(HPLC)
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568-72-9 / 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione

Standard CAS: 568-72-9 Multi CAS: Yes

Basic Information

CAS
568-72-9
Multi CAS
Yes
Molecular Formula
C19H18O3
Molecular Weight
294.300000
Exact Mass
294.125594
InChI
InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
InChIKey
HYXITZLLTYIPOF-UHFFFAOYSA-N

Physical Properties

Appearance
Red powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.37
H-bond acceptors
3
Molar refractivity
83.51
TPSA
47.28

LogP / Solubility

WLOGP
4.25
MLOGP
3.75
XLogP3
4.3
Consensus LogP
4.1
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

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
No
Synthetic Accessibility
3

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