CAS RN: 470-37-1
Cinobufagine
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250925 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTC3460
- Purity/Analytical Methods: >98.0%(HPLC)
470-37-1 / [(2S,4R,5R,6R,14S,16R)-14-hydroxy-7,11-dimethyl-6-(2-oxopyran-4-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
Basic Information
CAS
470-37-1
Multi CAS
Yes
Molecular Formula
C26H34O6
Molecular Weight
442.500000
Exact Mass
442.235539
InChI
InChI=1S/C26H34O6/c1-14(27)31-22-21(15-8-11-30-20(29)12-15)25(3)10-7-18-19(26(25)23(22)32-26)5-4-16-13-17(28)6-9-24(16,18)2/h8,11-12,16-19,21-23,28H,4-7,9-10,13H2,1-3H3/t16-,17+,18?,19?,21+,22-,23-,24?,25?,26-/m1/s1
InChIKey
BNZAGRNEEMGADQ-RPWOHFIESA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
115.89
TPSA
89.27
LogP / Solubility
WLOGP
3.8
MLOGP
3.37
XLogP3
3.3
Consensus LogP
3.49
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
