![(1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate structure](/static/products/800/800401-84-7.png)
(1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate
TL;DR: (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate (CAS 800401-84-7) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate
Also Known As: 5-Pyrimidinepropanol, (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate, Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate, ethyl (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylate, ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 0.0149 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 170.93088 |
Chemical Identifiers
| CAS Number | 800401-84-7 |
|---|---|
| SMILES | CCOC(=O)C1[C@H]2[C@@H]1CNC2 |
Product Overview
(1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate (CAS 800401-84-7), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate.
Chemical Property Profile of (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate
Property Insights of (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate
The XLogP value of 0.0149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate. With a topological polar surface area (TPSA) of 38.33 Ų, (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate?
The CAS number of (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate is 800401-84-7.
What is the molecular formula of (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate?
The molecular formula of (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate is C8H13NO2.
What is the molecular weight of (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate?
The molecular weight of (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate is 155.09 g/mol.
Where can I buy (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate?
You can request a quote for (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.