1,4-二氮庚环
TL;DR: 1,4-二氮庚环 (CAS 505-66-8) is a chemical compound with molecular formula C5H12N2 and molecular weight 100.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-二氮庚环
1,4-diazepane
Also Known As: Homopiperazine, 1,4-Diazepane, 1,4-Diazacycloheptane, [1,4]Diazepane, Hexahydro-1,4-diazepine
| Molecular Formula | C5H12N2 |
|---|---|
| Molecular Weight | 100.10 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.10005 |
| Heavy Atoms | 7 |
| Complexity | 39.0 |
Chemical Identifiers
| CAS Number | 505-66-8 |
|---|---|
| SMILES | C1CNCCNC1 |
| InChIKey | FQUYSHZXSKYCSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-二氮庚环 (CAS 505-66-8), with molecular formula C5H12N2 and molecular weight 100.10 g/mol. IUPAC: 1,4-diazepane.
Chemical Property Profile of 1,4-二氮庚环
Property Insights of 1,4-二氮庚环
The XLogP value of -0.5 indicates that 1,4-二氮庚环 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.1 Ų, 1,4-二氮庚环 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-二氮庚环 has 2 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 1,4-二氮庚环?
The CAS number of 1,4-二氮庚环 is 505-66-8.
What is the molecular formula of 1,4-二氮庚环?
The molecular formula of 1,4-二氮庚环 is C5H12N2.
What is the molecular weight of 1,4-二氮庚环?
The molecular weight of 1,4-二氮庚环 is 100.10 g/mol.
Where can I buy 1,4-二氮庚环?
You can request a quote for 1,4-二氮庚环 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-二氮庚环?
Yes, KEHONG BIO provides custom synthesis services for 1,4-二氮庚环 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.