CAS RN: 77307-50-7
SL0101
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.20260320 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS77307-50-7
- Purity/Analytical Methods: >99.0%
77307-50-7 / [(2S,3S,4S,5R,6S)-4-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate
Basic Information
CAS
77307-50-7
Multi CAS
Yes
Molecular Formula
C25H24O12
Molecular Weight
516.400000
Exact Mass
516.126776
InChI
InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1
InChIKey
SXOZSDJHGMAEGZ-IGKKHSBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
4
Molar refractivity
124.99
TPSA
182.19
LogP / Solubility
WLOGP
1.92
MLOGP
1.73
XLogP3
2.4
Consensus LogP
2.02
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly 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)
-4.5
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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- CAS RN: 77327-05-0
- Product Code: starshine_CAS77327-05-0
- Purity/Analytical method: >99.0%
