![CAS 1251003-44-7 9-Benzyl-2,4,9-Triaza-Spiro[5.5]Undec-2-En-3-Ylamine(WX100263) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251003-44-7.gif)
CAS RN: 1251003-44-7
9-Benzyl-2,4,9-Triaza-Spiro[5.5]Undec-2-En-3-Ylamine(WX100263)
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.20250702 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1251003-44-7
- Purity/Analytical Methods: >99.0%
1251003-44-7 / 9-benzyl-2,4,9-triazaspiro[5.5]undec-3-en-3-amine
Basic Information
CAS
1251003-44-7
Multi CAS
No
Molecular Formula
C15H22N4
Molecular Weight
258.360000
Exact Mass
258.184447
SMILES
C1CN(CCC12CNC(=NC2)N)CC3=CC=CC=C3
InChI
InChI=1S/C15H22N4/c16-14-17-11-15(12-18-14)6-8-19(9-7-15)10-13-4-2-1-3-5-13/h1-5H,6-12H2,(H3,16,17,18)
InChIKey
JOKWISGMHDKFOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.88
TPSA
53.65
LogP / Solubility
WLOGP
1.19
MLOGP
1.05
XLogP3
0.8
Consensus LogP
1.01
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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