CAS RN: 2530-07-6
TIGOGENIN ACETATE
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.20251126 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2530-07-6
- Purity/Analytical Methods: >99.0%
2530-07-6 / [(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate
Basic Information
CAS
2530-07-6
Multi CAS
No
Molecular Formula
C29H46O4
Molecular Weight
458.700000
Exact Mass
458.339610
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)OC1
InChI
InChI=1S/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
InChIKey
LVRAKYNQYKVPIK-OMRXZHHXSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.97
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
127.27
TPSA
44.76
LogP / Solubility
WLOGP
6.36
MLOGP
5.63
XLogP3
7.1
Consensus LogP
6.36
Log S (ESOL)
-6.63
Class (ESOL)
Insoluble
Log S (Ali)
-7.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
