Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2007924-93-6 / bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid
Basic Information
CAS
2007924-93-6
Multi CAS
No
Molecular Formula
C24H40N2O8
Molecular Weight
484.600000
Exact Mass
484.278466
SMILES
C1CC2(CCNC2)CC3(C1)OCCO3.C1CC2(CCNC2)CC3(C1)OCCO3.C(=O)(C(=O)O)O
InChI
InChI=1S/2C11H19NO2.C2H2O4/c2*1-2-10(4-5-12-9-10)8-11(3-1)13-6-7-14-11;3-1(4)2(5)6/h2*12H,1-9H2;(H,3,4)(H,5,6)
InChIKey
SAKULPIUWNOIGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
8
H-bond donors
4
Molar refractivity
121.32
TPSA
135.58
LogP / Solubility
WLOGP
1.72
MLOGP
1.55
XLogP3
1.72
Consensus LogP
1.66
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
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