CAS RN: 1054312-81-0
6,7-Di-O-acetylsinococuline
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.20260308 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1054312-81-0
- Purity/Analytical Methods: >99.0%
1054312-81-0 / [(1S,9S,12S,13S)-12-acetyloxy-3-hydroxy-4,11-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-13-yl] acetate
FK-3000 | (9S,1R)-13-Acetyloxy-17-aza-3-hydroxy-4,11-dimethoxytetracyclo[7.5.3.0.0]heptadeca-2(7),3,5,10-tetraen-12-yl acetate | DA-53208
Basic Information
CAS
1054312-81-0
Multi CAS
Yes
Molecular Formula
C22H27NO7
Molecular Weight
417.500000
Exact Mass
417.178752
SMILES
CC(=O)O[C@H]1C[C@]23CCN[C@H](C2=C([C@H]1OC(=O)C)OC)CC4=C3C(=C(C=C4)OC)O
InChI
InChI=1S/C22H27NO7/c1-11(24)29-16-10-22-7-8-23-14(18(22)21(28-4)20(16)30-12(2)25)9-13-5-6-15(27-3)19(26)17(13)22/h5-6,14,16,20,23,26H,7-10H2,1-4H3/t14-,16-,20-,22-/m0/s1
InChIKey
XAQZCUNTDGRIEM-AKUOHEDMSA-N
Synonyms
FK-3000
(9S,1R)-13-Acetyloxy-17-aza-3-hydroxy-4,11-dimethoxytetracyclo[7.5.3.0.0]heptadeca-2(7),3,5,10-tetraen-12-yl acetate
DA-53208
(acetoxy-hydroxy-dimethoxy-[?]yl) acetate
[(1S,9S)-12-Acetyloxy-3-hydroxy-4,11-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-13-yl] acetate
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
106.21
TPSA
103.32
LogP / Solubility
WLOGP
1.72
MLOGP
1.54
XLogP3
1
Consensus LogP
1.42
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
Customers Also Viewed
-
-
“Boronic acid, B,B’-[(1,2-diphenyl-1,2-ethenediyl)di-4,1-phenylene]bis-4,4′-(1,2-Diphenyl-1,2-ethenylene)diphenylboronic acid”
- CAS RN: 1054451-31-8
- Product Code: SSC-007184
-
-
1-(4-Bromobenzyl)-3-[(tert-butyldimethylsilyl)oxy]azetidine
- CAS RN: 1054483-36-1
- Product Code: SSC-007187
-
2-HYDROXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
- CAS RN: 1054483-78-1
- Product Code: SSC-007188
-
![CAS 1054451-31-8 “Boronic acid, B,B’-[(1,2-diphenyl-1,2-ethenediyl)di-4,1-phenylene]bis-4,4′-(1,2-Diphenyl-1,2-ethenylene)diphenylboronic acid” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1054451-31-8.gif)
![CAS 1054483-36-1 1-(4-Bromobenzyl)-3-[(tert-butyldimethylsilyl)oxy]azetidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1054483-36-1.gif)
