![CAS 1184963-68-5 2,6-diazaspiro[3.3]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1184963-68-5.gif)
CAS RN: 1184963-68-5
2,6-diazaspiro[3.3]heptane
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-018285
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1184963-68-5 / 2,6-diazaspiro[3.3]heptane;dihydrochloride
2,6-Diazaspiro[3.3]heptane dihydrochloride | 2,6-Diaza-spiro[3.3]heptane dihydrochloride | MFCD11878485
Basic Information
CAS
1184963-68-5
Multi CAS
Yes
Molecular Formula
C5H12Cl2N2
Molecular Weight
171.070000
Exact Mass
170.037754
SMILES
C1C2(CN1)CNC2.Cl.Cl
InChI
InChI=1S/C5H10N2.2ClH/c1-5(2-6-1)3-7-4-5;;/h6-7H,1-4H2;2*1H
InChIKey
JMCUPVMHIURPKM-UHFFFAOYSA-N
Synonyms
2,6-Diazaspiro[3.3]heptane dihydrochloride
2,6-Diaza-spiro[3.3]heptane dihydrochloride
MFCD11878485
2,6-diazaspiro[3.3]heptane;dihydrochloride
DTXSID80679733
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.67
TPSA
24.06
LogP / Solubility
WLOGP
0.02
MLOGP
0.02
XLogP3
0.02
Consensus LogP
0.02
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very 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)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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