CAS RN: 2209109-64-6
Stachartone A
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.20250921 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2209109-64-6
- Purity/Analytical Methods: >99.0%
2209109-64-6 / (3R,4aS,7R,7'R,8R,8'R,8aS)-7'-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-yl]-3,4',8'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-cyclopenta[g][1]benzofuran]-6'-one
Basic Information
CAS
2209109-64-6
Multi CAS
No
Molecular Formula
C46H62O9
Molecular Weight
759.000000
Exact Mass
758.439384
SMILES
C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C(C(=C4O3)[C@@H]5[C@H](C6=C7C(=C(C=C6C5=O)O)C[C@@]8(O7)[C@@H](CC[C@@H]9[C@@]8(CC[C@H](C9(C)C)O)C)C)O)CO)O)(CC[C@H](C2(C)C)O)C
InChI
InChI=1S/C46H62O9/c1-22-9-11-30-41(3,4)32(50)13-15-43(30,7)45(22)19-26-28(48)17-24(21-47)34(39(26)54-45)36-37(52)25-18-29(49)27-20-46(55-40(27)35(25)38(36)53)23(2)10-12-31-42(5,6)33(51)14-16-44(31,46)8/h17-18,22-23,30-33,36,38,47-51,53H,9-16,19-21H2,1-8H3/t22-,23-,30+,31+,32-,33-,36+,38+,43+,44+,45-,46-/m1/s1
InChIKey
HRXKKENEEGSHKS-GNVYJXNVSA-N
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
12
Fraction Csp3
0.72
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
6
Molar refractivity
206.33
TPSA
156.91
LogP / Solubility
WLOGP
7.42
MLOGP
6.59
XLogP3
7.3
Consensus LogP
7.1
Log S (ESOL)
-9.25
Class (ESOL)
Insoluble
Log S (Ali)
-11.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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