1,8-二氮杂二环［5.4.0］十一碳-7-烯
TL;DR: 1,8-二氮杂二环［5.4.0］十一碳-7-烯 (CAS 6674-22-2) is a chemical compound with molecular formula C9H16N2 and molecular weight 152.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-二氮杂二环［5.4.0］十一碳-7-烯
2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
Also Known As: 1,8-Diazabicyclo[5.4.0]undec-7-ene, polycat dbu, 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine, 1,8-Diazabicyclo(5.4.0)undec-7-ene, Diazabicycloundecene
| Molecular Formula | C9H16N2 |
|---|---|
| Molecular Weight | 152.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.13135 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
| Density | 1.018 @25 °C |
| Vapor Pressure | 0.05 [mmHg] |
Chemical Identifiers
| CAS Number | 6674-22-2 |
|---|---|
| SMILES | C1CCC2=NCCCN2CC1 |
| InChIKey | GQHTUMJGOHRCHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,8-二氮杂二环［5.4.0］十一碳-7-烯 (CAS 6674-22-2), with molecular formula C9H16N2 and molecular weight 152.13 g/mol. IUPAC: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine.
Chemical Property Profile of 1,8-二氮杂二环［5.4.0］十一碳-7-烯
Property Insights of 1,8-二氮杂二环［5.4.0］十一碳-7-烯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-二氮杂二环［5.4.0］十一碳-7-烯. With a topological polar surface area (TPSA) of 15.6 Ų, 1,8-二氮杂二环［5.4.0］十一碳-7-烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-二氮杂二环［5.4.0］十一碳-7-烯 has 0 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 1,8-二氮杂二环［5.4.0］十一碳-7-烯?
The CAS number of 1,8-二氮杂二环［5.4.0］十一碳-7-烯 is 6674-22-2.
What is the molecular formula of 1,8-二氮杂二环［5.4.0］十一碳-7-烯?
The molecular formula of 1,8-二氮杂二环［5.4.0］十一碳-7-烯 is C9H16N2.
What is the molecular weight of 1,8-二氮杂二环［5.4.0］十一碳-7-烯?
The molecular weight of 1,8-二氮杂二环［5.4.0］十一碳-7-烯 is 152.13 g/mol.
Where can I buy 1,8-二氮杂二环［5.4.0］十一碳-7-烯?
You can request a quote for 1,8-二氮杂二环［5.4.0］十一碳-7-烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-二氮杂二环［5.4.0］十一碳-7-烯?
Yes, KEHONG BIO provides custom synthesis services for 1,8-二氮杂二环［5.4.0］十一碳-7-烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.