CAS RN: 830347-18-7
Phlogacanthoside 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.20250623 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS830347-18-7
- Purity/Analytical Methods: >99.0%
830347-18-7 / (4R,4aS,7S,10aR,11bR)-7-hydroxy-4,8,11b-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
Basic Information
CAS
830347-18-7
Multi CAS
Yes
Molecular Formula
C26H38O9
Molecular Weight
494.600000
Exact Mass
494.251583
InChI
InChI=1S/C26H38O9/c1-12-18-15(34-23(12)32)9-14-13(19(18)28)5-6-17-25(2,7-4-8-26(14,17)3)11-33-24-22(31)21(30)20(29)16(10-27)35-24/h15-17,19-22,24,27-31H,4-11H2,1-3H3/t15-,16-,17-,19+,20-,21+,22-,24-,25+,26+/m1/s1
InChIKey
USHSVQJEZJGRFF-CPHRPWCNSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.81
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
5
Molar refractivity
122.74
TPSA
145.91
LogP / Solubility
WLOGP
0.71
MLOGP
0.66
XLogP3
0.3
Consensus LogP
0.56
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.95
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)
-5.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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