CAS RN: 1206805-30-2
6-O-Nicotinoylscutebarbatine G
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.20260522 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1206805-30-2
- Purity/Analytical Methods: >99.0%
1206805-30-2 / [6-(cyclopenta-1,3,4-triene-1-carbonyloxy)-5-hydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] cyclopenta-1,3,4-triene-1-carboxylate
orb1984296 | 6-O-nicotinolylscutebarbatine G | CHEMBL3930797
Basic Information
CAS
1206805-30-2
Multi CAS
Yes
Molecular Formula
C32H34O8
Molecular Weight
546.600000
Exact Mass
546.225368
SMILES
CC1=CCC(C2C1(C(C(C3(C2(CCC4(O3)CC(=O)OC4)C)C)O)OC(=O)C5=CC=C=C5)C)OC(=O)C6=CC=C=C6
InChI
InChI=1S/C32H34O8/c1-19-13-14-22(38-27(35)20-9-5-6-10-20)24-29(2)15-16-32(17-23(33)37-18-32)40-31(29,4)25(34)26(30(19,24)3)39-28(36)21-11-7-8-12-21/h5,7,9-13,22,24-26,34H,14-18H2,1-4H3
InChIKey
AJBAUCYKHLPPHC-UHFFFAOYSA-N
Synonyms
orb1984296
6-O-nicotinolylscutebarbatine G
CHEMBL3930797
HY-N8462
AKOS040760243
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
142.35
TPSA
108.36
LogP / Solubility
WLOGP
3.72
MLOGP
3.32
XLogP3
3
Consensus LogP
3.35
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.78
Class (SILICOS-IT)
Insoluble
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)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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