CAS RN: 1147858-78-3
Formononetin-8-C-β-D-apiofuranosyl-(1→6)-O-β-D-glucopyranoside
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.20250831 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1147858-78-3
- Purity/Analytical Methods: >99.0%
1147858-78-3 / 8-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
orb1680122 | AKOS040763619 | FS-8265
Basic Information
CAS
1147858-78-3
Multi CAS
Yes
Molecular Formula
C27H30O13
Molecular Weight
562.500000
Exact Mass
562.168641
SMILES
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O
InChI
InChI=1S/C27H30O13/c1-36-13-4-2-12(3-5-13)15-8-37-23-14(19(15)30)6-7-16(29)18(23)24-22(33)21(32)20(31)17(40-24)9-38-26-25(34)27(35,10-28)11-39-26/h2-8,17,20-22,24-26,28-29,31-35H,9-11H2,1H3/t17-,20-,21+,22-,24+,25+,26-,27-/m1/s1
InChIKey
SDACXUAYLKRGLD-JXEKJTPYSA-N
Synonyms
orb1680122
AKOS040763619
FS-8265
formononetin 8-C-[apiosyl-(1->6)]-glucoside
formononetin 8-C-apiofuranosyl-(1->6)-glucoside
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
16
Fraction Csp3
0.44
Rotatable bonds
7
H-bond acceptors
13
H-bond donors
7
Molar refractivity
135.51
TPSA
208.74
LogP / Solubility
WLOGP
-0.85
MLOGP
-0.7
XLogP3
-1.4
Consensus LogP
-0.98
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-6.75
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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