![CAS 105786-35-4 DIEXO-3-AMINO-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/105786-35-4.gif)
CAS RN: 105786-35-4
DIEXO-3-AMINO-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID ETHYL ESTER
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.20260513 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-007496
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 | Shanghai | Inquiry |
105786-35-4 / ethyl (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylate
ethyl 3-aminobicyclo[2.2.1]heptane-2-carboxylate | diendo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester | diexo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester
Basic Information
CAS
105786-35-4
Multi CAS
Yes
Molecular Formula
C10H17NO2
Molecular Weight
183.250000
Exact Mass
183.125929
SMILES
CCOC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1N
InChI
InChI=1S/C10H17NO2/c1-2-13-10(12)8-6-3-4-7(5-6)9(8)11/h6-9H,2-5,11H2,1H3
InChIKey
UIFFSCXLBNDAFP-UHFFFAOYSA-N
Synonyms
ethyl 3-aminobicyclo[2.2.1]heptane-2-carboxylate
diendo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester
diexo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester
SCHEMBL3351227
SCHEMBL7175062
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.93
TPSA
52.32
LogP / Solubility
WLOGP
0.92
MLOGP
0.81
XLogP3
1.4
Consensus LogP
1.04
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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