![CAS 2055841-98-8 3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 1-amino-, phenylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055841-98-8.png)
CAS RN: 2055841-98-8
3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 1-amino-, phenylmethyl 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.20260130 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-096815
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 |
2055841-98-8 / benzyl 1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
Basic Information
CAS
2055841-98-8
Multi CAS
No
Molecular Formula
C13H16N2O2
Molecular Weight
232.280000
Exact Mass
232.121178
SMILES
C1C2C1(CN(C2)C(=O)OCC3=CC=CC=C3)N
InChI
InChI=1S/C13H16N2O2/c14-13-6-11(13)7-15(9-13)12(16)17-8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2
InChIKey
JUVCIMRPEDATGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.23
TPSA
55.56
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
0.7
Consensus LogP
1.09
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 2055841-99-9 benzyl N-[1-(aminomethyl)cyclopropyl]carbamate hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
benzyl N-[1-(aminomethyl)cyclopropyl]carbamate hydrochloride
- CAS RN: 2055841-99-9
- Product Code: SSC-096816
-
-
4,4-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidine-2,3,5-trione
- CAS RN: 2055848-74-1
- Product Code: SSC-096818
-
1-Piperidinecarboxylic acid, 3-amino-4,4-difluoro-, 1,1-dimethylethyl ester, (3S)-
- CAS RN: 2055848-75-2
- Product Code: SSC-096819
-
TERT-BUTYL (5S)-5-AMINO-3,3-DIFLUOROPIPERIDINE-1-CARBOXYLATE
- CAS RN: 2055848-76-3
- Product Code: SSC-096820
-
(3S)-7-BROMO-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE HYDROCHLORIDE
- CAS RN: 2055848-77-4
- Product Code: SSC-096821
![CAS 2055841-99-9 benzyl N-[1-(aminomethyl)cyclopropyl]carbamate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055841-99-9.png)
![CAS 2055848-74-1 4,4-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidine-2,3,5-trione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055848-74-1.gif)
