1,5-Diazabicyclo(5,4,0)undec-5-ene
TL;DR: 1,5-Diazabicyclo(5,4,0)undec-5-ene (CAS 41015-70-7) 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.
3,4,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine
Also Known As: 1,5-diazabicyclo[5,4,0]undec-5-ene, 1,5-Diazabicyclo[5.4.0]undec-5-ene, 1,8-diazabicyclo[4,5,0]undec-7-ene, 1,5-DIAZABICYCLO(5,4,0)UNDEC-5-ENE, 1,5-Diazabicyclo(5.4.0)undec-5-ene
| Molecular Formula | C9H16N2 |
|---|---|
| Molecular Weight | 152.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.13135 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 41015-70-7 |
|---|---|
| SMILES | C1CCN2CCCN=CC2C1 |
| InChIKey | KWPQTFXULUUCGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Diazabicyclo(5,4,0)undec-5-ene (CAS 41015-70-7), with molecular formula C9H16N2 and molecular weight 152.13 g/mol. IUPAC: 3,4,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine.
Chemical Property Profile of 1,5-Diazabicyclo(5,4,0)undec-5-ene
Property Insights of 1,5-Diazabicyclo(5,4,0)undec-5-ene
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Diazabicyclo(5,4,0)undec-5-ene. With a topological polar surface area (TPSA) of 15.6 Ų, 1,5-Diazabicyclo(5,4,0)undec-5-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Diazabicyclo(5,4,0)undec-5-ene has 0 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 1,5-Diazabicyclo(5,4,0)undec-5-ene?
The CAS number of 1,5-Diazabicyclo(5,4,0)undec-5-ene is 41015-70-7.
What is the molecular formula of 1,5-Diazabicyclo(5,4,0)undec-5-ene?
The molecular formula of 1,5-Diazabicyclo(5,4,0)undec-5-ene is C9H16N2.
What is the molecular weight of 1,5-Diazabicyclo(5,4,0)undec-5-ene?
The molecular weight of 1,5-Diazabicyclo(5,4,0)undec-5-ene is 152.13 g/mol.
Where can I buy 1,5-Diazabicyclo(5,4,0)undec-5-ene?
You can request a quote for 1,5-Diazabicyclo(5,4,0)undec-5-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Diazabicyclo(5,4,0)undec-5-ene?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Diazabicyclo(5,4,0)undec-5-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.