CAS RN: 466-26-2
Bullatine B, Analytical reference
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250412 | 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB889697
466-26-2 / (1S,2R,3R,4S,5S,6S,8R,9R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
Basic Information
CAS
466-26-2
Multi CAS
Yes
Molecular Formula
C24H39NO6
Molecular Weight
437.600000
Exact Mass
437.277738
InChI
InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21?,22+,23-,24+/m1/s1
InChIKey
XRARAKHBJHWUHW-QVUBZLTISA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
112.25
TPSA
91.62
LogP / Solubility
WLOGP
0.5
MLOGP
0.47
XLogP3
-0.1
Consensus LogP
0.29
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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