CAS RN: 83729-01-5
SALVINORIN A
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250509 | 1mg / 5mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS83729-01-5
- Purity/Analytical Methods: >99.0%
83729-01-5 / methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Basic Information
CAS
83729-01-5
Multi CAS
Yes
Molecular Formula
C23H28O8
Molecular Weight
432.500000
Exact Mass
432.178418
InChI
InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
InChIKey
OBSYBRPAKCASQB-AGQYDFLVSA-N
Physical Properties
Melting Point
238-240 °C; also reported as 242-244 °C
Physical Description
Colorless solid; [Merck Index] White film
Appearance
Colorless crystals from methanol
White powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
5
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
8
Molar refractivity
105.27
TPSA
109.11
LogP / Solubility
WLOGP
3
MLOGP
2.67
XLogP3
2.5
Consensus LogP
2.72
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
Customers Also Viewed
-
-
[1,4′-bipiperidine]-4′-carboxamide dihydrochloride
- CAS RN: 83732-56-3
- Product Code: SSC-191440
-
-
-
2-hydroxyquinoline-5-carboxylic acid
- CAS RN: 83734-43-4
- Product Code: starshine_CAS83734-43-4
- Purity/Analytical method: >99.0%
-
2-oxo-1,2-dihydroquinoline-8-carboxylic acid
- CAS RN: 83734-48-9
- Product Code: starshine_CAS83734-48-9
- Purity/Analytical method: >99.0%
![CAS 83732-56-3 [1,4′-bipiperidine]-4′-carboxamide dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83732-56-3.gif)
