tert-butyl N-(2-oxoazepan-3-yl)carbamate
TL;DR: tert-butyl N-(2-oxoazepan-3-yl)carbamate (CAS 76944-95-1) is a chemical compound with molecular formula C11H20N2O3 and molecular weight 228.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2-oxoazepan-3-yl)carbamate
Also Known As: 3-N-Boc-amino-2-azepanone, tert-butyl N-(2-oxoazepan-3-yl)carbamate, tert-butyl (2-oxoazepan-3-yl)carbamate, (+/-)-N-alpha-Boc-amino-epsilon-caprolactam, n-2-boc-aminocaprolactam
| Molecular Formula | C11H20N2O3 |
|---|---|
| Molecular Weight | 228.15 g/mol |
| LogP | 1.1798 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.1474 |
| Heavy Atoms | 16 |
| Complexity | 270.89346 |
Chemical Identifiers
| CAS Number | 76944-95-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1CCCCNC1=O |
Product Overview
tert-butyl N-(2-oxoazepan-3-yl)carbamate (CAS 76944-95-1), with molecular formula C11H20N2O3 and molecular weight 228.15 g/mol. IUPAC: tert-butyl N-(2-oxoazepan-3-yl)carbamate.
Chemical Property Profile of tert-butyl N-(2-oxoazepan-3-yl)carbamate
Property Insights of tert-butyl N-(2-oxoazepan-3-yl)carbamate
The XLogP value of 1.1798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(2-oxoazepan-3-yl)carbamate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(2-oxoazepan-3-yl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(2-oxoazepan-3-yl)carbamate has 2 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 tert-butyl N-(2-oxoazepan-3-yl)carbamate?
The CAS number of tert-butyl N-(2-oxoazepan-3-yl)carbamate is 76944-95-1.
What is the molecular formula of tert-butyl N-(2-oxoazepan-3-yl)carbamate?
The molecular formula of tert-butyl N-(2-oxoazepan-3-yl)carbamate is C11H20N2O3.
What is the molecular weight of tert-butyl N-(2-oxoazepan-3-yl)carbamate?
The molecular weight of tert-butyl N-(2-oxoazepan-3-yl)carbamate is 228.15 g/mol.
Where can I buy tert-butyl N-(2-oxoazepan-3-yl)carbamate?
You can request a quote for tert-butyl N-(2-oxoazepan-3-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(2-oxoazepan-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(2-oxoazepan-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.