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Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
TL;DR: Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate (CAS 68982-22-9) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
Also Known As: Maybridge1_002302, DivK1c_001054, benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate, CDS1_000014, BTB 14792
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.4893 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 460.07837 |
Chemical Identifiers
| CAS Number | 68982-22-9 |
|---|---|
| SMILES | C1C2C1N(C(=O)N2)C(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate (CAS 68982-22-9), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate.
Chemical Property Profile of Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
Property Insights of Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
The XLogP value of 1.4893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate. With a topological polar surface area (TPSA) of 58.64 Ų, Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-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 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate?
The CAS number of Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate is 68982-22-9.
What is the molecular formula of Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate?
The molecular formula of Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate is C12H12N2O3.
What is the molecular weight of Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate?
The molecular weight of Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate is 232.08 g/mol.
Where can I buy Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate?
You can request a quote for Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-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 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.