六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺
TL;DR: 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺 (CAS 60451-35-6) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺
N-ethenyl-2-oxoazepane-1-carboxamide
Also Known As: n-ethenyl-2-oxoazepane-1-carboxamide, Hexahydro-2-oxo-N-vinyl-1H-azepine-1-carboxamide, N-(N'-Vinylcarbamyl)-caprolactam, N-(N'-vinylcarbamoyl)-caprolactam, N-Ethenylhexahydro-2-oxo-1H-azepine-1-carboxamide
| Molecular Formula | C9H14N2O2 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.10553 |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 60451-35-6 |
|---|---|
| SMILES | C=CNC(=O)N1CCCCCC1=O |
| InChIKey | VGRKPIRDMXWKDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺 (CAS 60451-35-6), with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol. IUPAC: N-ethenyl-2-oxoazepane-1-carboxamide.
Chemical Property Profile of 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺
Property Insights of 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺. With a topological polar surface area (TPSA) of 49.4 Ų, 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺 has 1 hydrogen bond donor(s) and 2 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 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺?
The CAS number of 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺 is 60451-35-6.
What is the molecular formula of 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺?
The molecular formula of 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺 is C9H14N2O2.
What is the molecular weight of 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺?
The molecular weight of 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺 is 182.11 g/mol.
Where can I buy 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺?
You can request a quote for 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 六氢-2-氧代-N-乙烯基-1H-氮杂环庚烷-1-甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.