![CAS 1363381-51-4 Methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02615305(1).gif)
CAS RN: 1363381-51-4
Methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate hydrochloride
- Product code: SSC-045328
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 | Shenzhen | Inquiry |
1363381-51-4 / methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate
Basic Information
CAS
1363381-51-4
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
SMILES
COC(=O)C1C2CC1CNC2
InChI
InChI=1S/C8H13NO2/c1-11-8(10)7-5-2-6(7)4-9-3-5/h5-7,9H,2-4H2,1H3
InChIKey
PPFNTLCZEGSHSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.97
TPSA
38.33
LogP / Solubility
WLOGP
0.01
MLOGP
0.01
XLogP3
0.1
Consensus LogP
0.04
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
Methyl 3,6-dichloro-5-Methylpyridazine-4-carboxylate
- CAS RN: 1363381-53-6
- Product Code: SSC-045329
-
3-Boc-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
- CAS RN: 1363381-55-8
- Product Code: SSC-045330
-
-
3-(BenzyloxyMethyl)cyclobutanecarboxylic acid
- CAS RN: 1363381-57-0
- Product Code: starshine_CAS1363381-57-0
- Purity/Analytical method: >99.0%
-
-
5-Acetyl-4-Chloro-7H-pyrrolo[2,3-d]pyriMidine
- CAS RN: 1363381-59-2
- Product Code: SSC-045333
![CAS 1363381-55-8 3-Boc-3-azabicyclo[3.1.0]hexane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363381-55-8.gif)
![CAS 1363381-56-9 1-Boc-6-hydroxy-1-azaspiro[3.3]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363381-56-9.gif)
.gif)
![CAS 1363381-59-2 5-Acetyl-4-Chloro-7H-pyrrolo[2,3-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22603791(1).gif)