CAS RN: 2300952-67-2
giraldoid B,daphnolin
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.20250315 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2300952-67-2
- Purity/Analytical Methods: >99.0%
2300952-67-2 / 5-hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Basic Information
CAS
2300952-67-2
Multi CAS
No
Molecular Formula
C24H20O13
Molecular Weight
516.400000
Exact Mass
516.090391
SMILES
C1=CC(=C(C2=C1C=CC(=O)O2)OC3=C4C(=C(C(=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C=CC(=O)O4)O
InChI
InChI=1S/C24H20O13/c25-8-14-18(30)19(31)20(32)24(35-14)34-12-7-13(22-10(17(12)29)3-6-16(28)37-22)33-23-11(26)4-1-9-2-5-15(27)36-21(9)23/h1-7,14,18-20,24-26,29-32H,8H2/t14-,18-,19+,20-,24-/m1/s1
InChIKey
YDGYODBIBDSNTE-TUDFTFLDSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
20
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
13
H-bond donors
6
Molar refractivity
122.77
TPSA
209.49
LogP / Solubility
WLOGP
0.28
MLOGP
0.29
XLogP3
0.6
Consensus LogP
0.39
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.67
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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