CAS RN: 83348-22-5
10-O-Caffeoyl-6-epiferetoside
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.20260327 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS83348-22-5
- Purity/Analytical Methods: >99.0%
83348-22-5 / methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Basic Information
CAS
83348-22-5
Multi CAS
Yes
Molecular Formula
C26H30O14
Molecular Weight
566.500000
Exact Mass
566.163556
InChI
InChI=1S/C26H30O14/c1-36-24(35)13-10-38-25(40-26-23(34)22(33)21(32)17(8-27)39-26)19-12(7-16(30)20(13)19)9-37-18(31)5-3-11-2-4-14(28)15(29)6-11/h2-7,10,16-17,19-23,25-30,32-34H,8-9H2,1H3/t16-,17-,19+,20-,21-,22+,23-,25-,26+/m1/s1
InChIKey
LLNDGETZUXLFQJ-HQCPGWPKSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
7
Molar refractivity
130.66
TPSA
221.9
LogP / Solubility
WLOGP
-1.58
MLOGP
-1.35
XLogP3
-1.5
Consensus LogP
-1.48
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
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)
-7.3
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
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