![CAS 83889-78-5 4H-1-Benzopyran-4-one, 6-[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83889-78-5.gif)
CAS RN: 83889-78-5
4H-1-Benzopyran-4-one, 6-[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
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 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS83889-78-5
- Purity/Analytical Methods: >99.0%
83889-78-5 / 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Basic Information
CAS
83889-78-5
Multi CAS
No
Molecular Formula
C28H32O14
Molecular Weight
592.500000
Exact Mass
592.179206
InChI
InChI=1S/C28H32O14/c1-10-20(32)23(35)25(37)28(39-10)42-27-24(36)21(33)17(9-29)41-26(27)19-15(38-2)8-16-18(22(19)34)13(31)7-14(40-16)11-3-5-12(30)6-4-11/h3-8,10,17,20-21,23-30,32-37H,9H2,1-2H3/t10-,17+,20-,21+,23+,24-,25+,26-,27+,28-/m0/s1
InChIKey
UINZSMIFSIQGBZ-KVQGGKNTSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
8
Molar refractivity
141.74
TPSA
228.97
LogP / Solubility
WLOGP
-0.75
MLOGP
-0.62
XLogP3
-0.6
Consensus LogP
-0.66
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-6.87
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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