Benzyl 1,4-diazepane-1-carboxylate
TL;DR: Benzyl 1,4-diazepane-1-carboxylate (CAS 117009-97-9) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 1,4-diazepane-1-carboxylate
Also Known As: Benzyl 1,4-diazepane-1-carboxylate, Benzyl 1-homopiperazinecarboxylate, Cbz-homopiperazine, N-Cbz-homopiperazine, 1-Cbz-homopiperazine
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 1.6185 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 345.6969 |
Chemical Identifiers
| CAS Number | 117009-97-9 |
|---|---|
| SMILES | C1CNCCN(C1)C(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl 1,4-diazepane-1-carboxylate (CAS 117009-97-9), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: benzyl 1,4-diazepane-1-carboxylate.
Chemical Property Profile of Benzyl 1,4-diazepane-1-carboxylate
Property Insights of Benzyl 1,4-diazepane-1-carboxylate
The XLogP value of 1.6185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 1,4-diazepane-1-carboxylate. With a topological polar surface area (TPSA) of 41.57 Ų, Benzyl 1,4-diazepane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 1,4-diazepane-1-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 1,4-diazepane-1-carboxylate?
The CAS number of Benzyl 1,4-diazepane-1-carboxylate is 117009-97-9.
What is the molecular formula of Benzyl 1,4-diazepane-1-carboxylate?
The molecular formula of Benzyl 1,4-diazepane-1-carboxylate is C13H18N2O2.
What is the molecular weight of Benzyl 1,4-diazepane-1-carboxylate?
The molecular weight of Benzyl 1,4-diazepane-1-carboxylate is 234.14 g/mol.
Where can I buy Benzyl 1,4-diazepane-1-carboxylate?
You can request a quote for Benzyl 1,4-diazepane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 1,4-diazepane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 1,4-diazepane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.