CAS RN: 454212-54-5
Nudifloside D
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.20250304 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS454212-54-5
- Purity/Analytical Methods: >99.0%
454212-54-5 / methyl 5-ethylidene-4-[2-[[3-hydroxy-2-(1-hydroxypropan-2-yl)-5-methylcyclopentyl]methoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Basic Information
CAS
454212-54-5
Multi CAS
Yes
Molecular Formula
C27H42O13
Molecular Weight
574.600000
Exact Mass
574.262541
InChI
InChI=1S/C27H42O13/c1-5-14-15(7-20(31)37-10-16-12(2)6-18(30)21(16)13(3)8-28)17(25(35)36-4)11-38-26(14)40-27-24(34)23(33)22(32)19(9-29)39-27/h5,11-13,15-16,18-19,21-24,26-30,32-34H,6-10H2,1-4H3/b14-5+/t12-,13-,15-,16+,18-,19+,21-,22+,23-,24+,26-,27-/m0/s1
InChIKey
HMVRPFGHXCDNLO-CFIFTEHKSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.78
Rotatable bonds
10
H-bond acceptors
13
H-bond donors
6
Molar refractivity
135.66
TPSA
201.67
LogP / Solubility
WLOGP
-1.03
MLOGP
-0.86
XLogP3
-0.8
Consensus LogP
-0.9
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-6.95
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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