![CAS 2007925-01-9 bis({1,4-dioxa-8-azaspiro[4.5]decan-6-yl}methanamine) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007925-01-9.png)
CAS RN: 2007925-01-9
bis({1,4-dioxa-8-azaspiro[4.5]decan-6-yl}methanamine)
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.20260131 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2007925-01-9
- Purity/Analytical Methods: >99.0%
2007925-01-9 / bis(1,4-dioxa-8-azaspiro[4.5]decan-6-ylmethanamine);oxalic acid
Basic Information
CAS
2007925-01-9
Multi CAS
No
Molecular Formula
C18H34N4O8
Molecular Weight
434.500000
Exact Mass
434.237664
SMILES
C1CNCC(C12OCCO2)CN.C1CNCC(C12OCCO2)CN.C(=O)(C(=O)O)O
InChI
InChI=1S/2C8H16N2O2.C2H2O4/c2*9-5-7-6-10-2-1-8(7)11-3-4-12-8;3-1(4)2(5)6/h2*7,10H,1-6,9H2;(H,3,4)(H,5,6)
InChIKey
FTTJMCDJDSQILG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
10
H-bond donors
6
Molar refractivity
104.6
TPSA
187.62
LogP / Solubility
WLOGP
-2.25
MLOGP
-1.95
XLogP3
-2.25
Consensus LogP
-2.15
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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