CAS RN: 26544-34-3
APIIN
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250720 | 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS26544-34-3
- Purity/Analytical Methods: >99.0%
26544-34-3 / 7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Basic Information
CAS
26544-34-3
Multi CAS
No
Molecular Formula
C26H28O14
Molecular Weight
564.500000
Exact Mass
564.147906
SMILES
C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O
InChI
InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1
InChIKey
NTDLXWMIWOECHG-YRCFQSNFSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
16
Fraction Csp3
0.42
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
8
Molar refractivity
132.29
TPSA
228.97
LogP / Solubility
WLOGP
-1.49
MLOGP
-1.26
XLogP3
-0.4
Consensus LogP
-1.05
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately 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)
-7.22
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9
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