CAS RN: 1215178-87-2
9-epi-6-Methoxygeniposidic acid
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.20260330 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1215178-87-2
- Purity/Analytical Methods: >99.0%
1215178-87-2 / (1S,4aS,5S,7aR)-7-(hydroxymethyl)-5-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Basic Information
CAS
1215178-87-2
Multi CAS
No
Molecular Formula
C17H24O11
Molecular Weight
404.400000
Exact Mass
404.131862
SMILES
CO[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)O)CO
InChI
InChI=1S/C17H24O11/c1-25-8-2-6(3-18)10-11(8)7(15(23)24)5-26-16(10)28-17-14(22)13(21)12(20)9(4-19)27-17/h2,5,8-14,16-22H,3-4H2,1H3,(H,23,24)/t8-,9+,10-,11-,12+,13-,14+,16-,17-/m0/s1
InChIKey
UGWIKFJKKFUZBT-SPRBMVOTSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
6
Molar refractivity
88.39
TPSA
175.37
LogP / Solubility
WLOGP
-2.69
MLOGP
-2.34
XLogP3
-3.2
Consensus LogP
-2.74
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very 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)
-7.1
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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