![CAS 2007921-06-2 Allyl 2,7-Diazaspiro[3.5]Nonane-2-Carboxylate Hydrochloride(WXC00548) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007921-06-2.png)
CAS RN: 2007921-06-2
Allyl 2,7-Diazaspiro[3.5]Nonane-2-Carboxylate Hydrochloride(WXC00548)
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.20250427 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2007921-06-2
- Purity/Analytical Methods: >99.0%
2007921-06-2 / prop-2-enyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydrochloride
Basic Information
CAS
2007921-06-2
Multi CAS
No
Molecular Formula
C11H19ClN2O2
Molecular Weight
246.730000
Exact Mass
246.113506
SMILES
C=CCOC(=O)N1CC2(C1)CCNCC2.Cl
InChI
InChI=1S/C11H18N2O2.ClH/c1-2-7-15-10(14)13-8-11(9-13)3-5-12-6-4-11;/h2,12H,1,3-9H2;1H
InChIKey
UJDUWYHDTBCMRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.9
TPSA
41.57
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
1.42
Consensus LogP
1.36
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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