CAS RN: 163564-58-7
Kadsulignan N
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.20250203 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS163564-58-7
- Purity/Analytical Methods: >99.0%
163564-58-7 / (1S,14R,15R,16S)-4,5,6,9,10,11-hexamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.02,7.08,13]heptadeca-2,4,6,8,10,12-hexaene
Basic Information
CAS
163564-58-7
Multi CAS
No
Molecular Formula
C24H30O7
Molecular Weight
430.500000
Exact Mass
430.199153
SMILES
C[C@@H]1[C@@H]([C@H]2C3=CC(=C(C(=C3C4=C(C(=C(C=C4[C@@H]1O2)OC)OC)OC)OC)OC)OC)C
InChI
InChI=1S/C24H30O7/c1-11-12(2)20-14-10-16(26-4)22(28-6)24(30-8)18(14)17-13(19(11)31-20)9-15(25-3)21(27-5)23(17)29-7/h9-12,19-20H,1-8H3/t11-,12+,19-,20+
InChIKey
RRQAIPQPPCAEHD-JARDSOJUSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
116.09
TPSA
64.61
LogP / Solubility
WLOGP
4.8
MLOGP
4.25
XLogP3
4
Consensus LogP
4.35
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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