CAS RN: 144096-46-8
Agistatin B
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.20250207 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS144096-46-8
- Purity/Analytical Methods: >99.0%
144096-46-8 / (1R,3R,4R,7S,8R,9S)-4-ethyl-2,11-dioxatricyclo[5.3.1.03,8]undecane-8,9-diol
Basic Information
CAS
144096-46-8
Multi CAS
No
Molecular Formula
C11H18O4
Molecular Weight
214.260000
Exact Mass
214.120509
SMILES
CC[C@@H]1CC[C@H]2[C@]3([C@@H]1O[C@@H](O2)C[C@@H]3O)O
InChI
InChI=1S/C11H18O4/c1-2-6-3-4-8-11(13)7(12)5-9(14-8)15-10(6)11/h6-10,12-13H,2-5H2,1H3/t6-,7+,8+,9-,10-,11-/m1/s1
InChIKey
VPNRLNAIVJHRND-FSKPYACHSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.12
TPSA
58.92
LogP / Solubility
WLOGP
0.41
MLOGP
0.36
XLogP3
0.4
Consensus LogP
0.39
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9
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