CAS RN: 104669-02-5
Iriflophene 3-C-beta-D-glucopyraside
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250521 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS104669-02-5
- Purity/Analytical Methods: >99.0%
104669-02-5 / (4-hydroxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone
Iriflophenone-3-C-beta-flucoside | DTXSID00904231 | RefChem:1087432
Basic Information
CAS
104669-02-5
Multi CAS
Yes
Molecular Formula
C19H20O10
Molecular Weight
408.400000
Exact Mass
408.105647
SMILES
C1=CC(=CC=C1C(=O)C2=C(C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI
InChI=1S/C19H20O10/c20-6-11-15(25)17(27)18(28)19(29-11)13-10(23)5-9(22)12(16(13)26)14(24)7-1-3-8(21)4-2-7/h1-5,11,15,17-23,25-28H,6H2/t11-,15-,17+,18-,19+/m1/s1
InChIKey
BZYKNVLTMWYEFA-ZJKJAXBQSA-N
Synonyms
Iriflophenone-3-C-beta-flucoside
DTXSID00904231
RefChem:1087432
DTXCID101333380
Iriflophenone 3-C-glucoside
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
8
Molar refractivity
95.7
TPSA
188.14
LogP / Solubility
WLOGP
-0.75
MLOGP
-0.63
XLogP3
-0.1
Consensus LogP
-0.49
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-5.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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