![CAS 1788041-49-5 (1R,2R,4S)-rel-Methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1788041-49-5.gif)
CAS RN: 1788041-49-5
(1R,2R,4S)-rel-Methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate oxalate
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.20251210 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-079580
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 | Hong Kong | Inquiry |
1788041-49-5 / methyl (1R,2R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate;oxalic acid
Basic Information
CAS
1788041-49-5
Multi CAS
No
Molecular Formula
C10H15NO6
Molecular Weight
245.230000
Exact Mass
245.089937
SMILES
COC(=O)[C@@H]1C[C@@H]2CC[C@H]1N2.C(=O)(C(=O)O)O
InChI
InChI=1S/C8H13NO2.C2H2O4/c1-11-8(10)6-4-5-2-3-7(6)9-5;3-1(4)2(5)6/h5-7,9H,2-4H2,1H3;(H,3,4)(H,5,6)/t5-,6+,7+;/m0./s1
InChIKey
CYQRNEXAKCLPOG-VWZUFWLJSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
55.34
TPSA
112.93
LogP / Solubility
WLOGP
-0.54
MLOGP
-0.47
XLogP3
-0.54
Consensus LogP
-0.52
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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