CAS RN: 1181216-83-0
Arisanschinin K
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.20251211 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1181216-83-0
- Purity/Analytical Methods: >99.0%
1181216-83-0 / [(8S,9R,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate
Arisanschinin K | SCHISANTERIN A | NSC330516
Basic Information
CAS
1181216-83-0
Multi CAS
Yes
Molecular Formula
C30H32O9
Molecular Weight
536.600000
Exact Mass
536.204633
SMILES
C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]([C@]1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3
InChI
InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30+/m0/s1
InChIKey
UFCGDBKFOKKVAC-VLPWJMHXSA-N
Synonyms
Arisanschinin K
SCHISANTERIN A
NSC330516
Schisantherin
C30H32O9
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
18
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
1
Molar refractivity
142.3
TPSA
101.91
LogP / Solubility
WLOGP
4.96
MLOGP
4.4
XLogP3
5
Consensus LogP
4.79
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-7.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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