![CAS 2306246-64-8 tert-butyl (1R,5R)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2306246-64-8.gif)
CAS RN: 2306246-64-8
tert-butyl (1R,5R)-3,6-diazabicyclo[3.2.0]heptane-3-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.20250622 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-112112
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2306246-64-8 / tert-butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate;hydrochloride
Basic Information
CAS
2306246-64-8
Multi CAS
No
Molecular Formula
C10H19ClN2O2
Molecular Weight
234.720000
Exact Mass
234.113506
SMILES
CC(C)(C)OC(=O)N1CC2CNC2C1.Cl
InChI
InChI=1S/C10H18N2O2.ClH/c1-10(2,3)14-9(13)12-5-7-4-11-8(7)6-12;/h7-8,11H,4-6H2,1-3H3;1H
InChIKey
CTVDRVRVOABUPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.34
TPSA
41.57
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
1.25
Consensus LogP
1.2
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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