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CAS RN: 1418150-06-7
Minaxin C
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.20251221 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1418150-06-7
- Purity/Analytical Methods: >99.0%
1418150-06-7 / [(1R,2S,3aS,3bS,4R,5S,5aR,9S,9aS,9bS,11aR)-4,5-diacetyloxy-1,2,5a,11a-tetrahydroxy-3a,6,6,9a-tetramethyl-11-oxo-1,2,3b,4,5,7,8,9,9b,10-decahydronaphtho[1,2-g][1]benzofuran-9-yl] acetate
Basic Information
CAS
1418150-06-7
Multi CAS
No
Molecular Formula
C26H38O12
Molecular Weight
542.600000
Exact Mass
542.236327
SMILES
CC(=O)O[C@H]1CCC([C@]2([C@]1([C@H]3CC(=O)[C@]4([C@H]([C@H](O[C@]4([C@@H]3[C@H]([C@@H]2OC(=O)C)OC(=O)C)C)O)O)O)C)O)(C)C
InChI
InChI=1S/C26H38O12/c1-11(27)35-16-8-9-22(4,5)26(34)20(37-13(3)29)18(36-12(2)28)17-14(23(16,26)6)10-15(30)25(33)19(31)21(32)38-24(17,25)7/h14,16-21,31-34H,8-10H2,1-7H3/t14-,16-,17-,18+,19-,20-,21-,23-,24-,25+,26+/m0/s1
InChIKey
LOMSKYVSYSPQIL-IFANGNRESA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
12
H-bond donors
4
Molar refractivity
125.79
TPSA
186.12
LogP / Solubility
WLOGP
-0.24
MLOGP
-0.17
XLogP3
-0.6
Consensus LogP
-0.34
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.2
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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