氮杂环庚三烯
TL;DR: 氮杂环庚三烯 (CAS 12764-48-6) is a chemical compound with molecular formula C6H7N and molecular weight 93.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氮杂环庚三烯
1H-azepine
Also Known As: 1H-Azepine, azepine, AZATROPILIDENE, Iron,compd. with nickel (2:1), 17249-EP2270010A1
| Molecular Formula | C6H7N |
|---|---|
| Molecular Weight | 93.06 g/mol |
| LogP | 1.1732 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 93.057846 |
| Heavy Atoms | 7 |
| Complexity | 106.14171 |
Chemical Identifiers
| CAS Number | 12764-48-6 |
|---|---|
| SMILES | C1=CC=CNC=C1 |
Product Overview
氮杂环庚三烯 (CAS 12764-48-6), with molecular formula C6H7N and molecular weight 93.06 g/mol. IUPAC: 1H-azepine.
Chemical Property Profile of 氮杂环庚三烯
Property Insights of 氮杂环庚三烯
The XLogP value of 1.1732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氮杂环庚三烯. With a topological polar surface area (TPSA) of 12.03 Ų, 氮杂环庚三烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氮杂环庚三烯 has 1 hydrogen bond donor(s) and 1 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 氮杂环庚三烯?
The CAS number of 氮杂环庚三烯 is 12764-48-6.
What is the molecular formula of 氮杂环庚三烯?
The molecular formula of 氮杂环庚三烯 is C6H7N.
What is the molecular weight of 氮杂环庚三烯?
The molecular weight of 氮杂环庚三烯 is 93.06 g/mol.
Where can I buy 氮杂环庚三烯?
You can request a quote for 氮杂环庚三烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氮杂环庚三烯?
Yes, KEHONG BIO provides custom synthesis services for 氮杂环庚三烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.