![Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate structure](/static/products/845/845866-59-3.png)
Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
TL;DR: Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (CAS 845866-59-3) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Also Known As: benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, N-CBZ-2,5-DIAZABICYCLO[2.2.1]HEPTANE, N-CBZ-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE, 2-CBZ-2,5-DIAZABICYCLO[2.2.1]HEPTANE, N-methyl-2-(trifluoromethyl)aniline Hydrochloride
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 1.3693 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 407.14032 |
Chemical Identifiers
| CAS Number | 845866-59-3 |
|---|---|
| SMILES | C1C2CNC1CN2C(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (CAS 845866-59-3), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate.
Chemical Property Profile of Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Property Insights of Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
The XLogP value of 1.3693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate. With a topological polar surface area (TPSA) of 41.57 Ų, Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-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 Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The CAS number of Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate is 845866-59-3.
What is the molecular formula of Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The molecular formula of Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate is C13H16N2O2.
What is the molecular weight of Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The molecular weight of Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate is 232.12 g/mol.
Where can I buy Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
You can request a quote for Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.