CAS RN: 92545-30-7
SANGUINARINE (RG)
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260513 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS92545-30-7
- Purity/Analytical Methods: >99.0%
92545-30-7 / methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Basic Information
CAS
92545-30-7
Multi CAS
Yes
Molecular Formula
C21H26O7
Molecular Weight
390.400000
Exact Mass
390.167853
InChI
InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
InChIKey
BLTMVAIOAAGYAR-CEFSSPBYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
95.72
TPSA
103.04
LogP / Solubility
WLOGP
2.43
MLOGP
2.16
XLogP3
1.9
Consensus LogP
2.16
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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