(S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate
TL;DR: (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate (CAS 449797-38-0) is a chemical compound with molecular formula C16H21N3O4 and molecular weight 319.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]carbamate
Also Known As: (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate, benzyl N-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]carbamate, benzyl (2-oxo-2-{[(3S)-2-oxoazepan-3-yl]amino}ethyl)carbamate
| Molecular Formula | C16H21N3O4 |
|---|---|
| Molecular Weight | 319.15 g/mol |
| LogP | 0.6977 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1532 |
| Heavy Atoms | 23 |
| Complexity | 547.5162 |
Chemical Identifiers
| CAS Number | 449797-38-0 |
|---|---|
| SMILES | C1CCNC(=O)C(C1)NC(=O)CNC(=O)OCC2=CC=CC=C2 |
Product Overview
(S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate (CAS 449797-38-0), with molecular formula C16H21N3O4 and molecular weight 319.15 g/mol. IUPAC: benzyl N-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]carbamate.
Chemical Property Profile of (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate
Property Insights of (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate
The XLogP value of 0.6977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate. Following Lipinski's Rule of Five, (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate has 3 hydrogen bond donor(s) and 4 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 (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate?
The CAS number of (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate is 449797-38-0.
What is the molecular formula of (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate?
The molecular formula of (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate is C16H21N3O4.
What is the molecular weight of (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate?
The molecular weight of (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate is 319.15 g/mol.
Where can I buy (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate?
You can request a quote for (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-benzyl (2-oxo-2-((2-oxoazepan-3-yl)amino)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.