![CAS 175845-21-3 2,8,9-TRI-I-PROPYL-2,5,8,9-TETRAAZA-1-PHOSPHABICYCLO[3.3.3]UNDECANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175845-21-3.gif)
CAS RN: 175845-21-3
2,8,9-TRI-I-PROPYL-2,5,8,9-TETRAAZA-1-PHOSPHABICYCLO[3.3.3]UNDECANE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250822 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS175845-21-3
- Purity/Analytical Methods: >99.0%
175845-21-3 / 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane
Basic Information
CAS
175845-21-3
Multi CAS
No
Molecular Formula
C15H33N4P
Molecular Weight
300.420000
Exact Mass
300.244284
SMILES
CC(C)N1CCN2CCN(P1N(CC2)C(C)C)C(C)C
InChI
InChI=1S/C15H33N4P/c1-13(2)17-10-7-16-8-11-18(14(3)4)20(17)19(12-9-16)15(5)6/h13-15H,7-12H2,1-6H3
InChIKey
DFRWCJYSXGNOFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
88.89
TPSA
12.96
LogP / Solubility
WLOGP
2.67
MLOGP
2.36
XLogP3
2.6
Consensus LogP
2.54
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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