![CAS 2102412-20-2 tert-butyl 3,3-difluoro-1,6-diazaspiro[3.3]heptane-1-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2102412-20-2.png)
CAS RN: 2102412-20-2
tert-butyl 3,3-difluoro-1,6-diazaspiro[3.3]heptane-1-carboxylate hydrochloride
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.20250416 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-100049
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 | Hong Kong | Inquiry |
2102412-20-2 / tert-butyl 3,3-difluoro-1,6-diazaspiro[3.3]heptane-1-carboxylate;hydrochloride
Basic Information
CAS
2102412-20-2
Multi CAS
No
Molecular Formula
C10H17ClF2N2O2
Molecular Weight
270.700000
Exact Mass
270.094662
SMILES
CC(C)(C)OC(=O)N1CC(C12CNC2)(F)F.Cl
InChI
InChI=1S/C10H16F2N2O2.ClH/c1-8(2,3)16-7(15)14-6-10(11,12)9(14)4-13-5-9;/h13H,4-6H2,1-3H3;1H
InChIKey
RBEQQMVGVCDOOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.74
TPSA
41.57
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-3.21
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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