CAS RN: 1264496-61-8
6-Ethoxygeniposide
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.20260621 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1264496-61-8
- Purity/Analytical Methods: >99.0%
1264496-61-8 / methyl (1S,4aS,5S,7aS)-5-ethoxy-7-(hydroxymethyl)-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
1264496-61-8
Multi CAS
No
Molecular Formula
C19H28O11
Molecular Weight
432.400000
Exact Mass
432.163162
SMILES
CCO[C@H]1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC)CO
InChI
InChI=1S/C19H28O11/c1-3-27-10-4-8(5-20)12-13(10)9(17(25)26-2)7-28-18(12)30-19-16(24)15(23)14(22)11(6-21)29-19/h4,7,10-16,18-24H,3,5-6H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1
InChIKey
WGNXATPUZSSFNF-HOZAMIDDSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.74
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
5
Molar refractivity
97.39
TPSA
164.37
LogP / Solubility
WLOGP
-2.21
MLOGP
-1.92
XLogP3
-2.5
Consensus LogP
-2.21
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
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)
-6.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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