7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯
TL;DR: 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯 (CAS 89850-87-3) is a chemical compound with molecular formula CN1CCCN2C1=NCCC2 and molecular weight 153.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯
1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
Also Known As: 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene, MTBD, 1-Methyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine, 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine
| Molecular Formula | CN1CCCN2C1=NCCC2 |
|---|---|
| Molecular Weight | 153.13 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.1266 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 89850-87-3 |
|---|---|
| SMILES | CN1CCCN2C1=NCCC2 |
| InChIKey | OEBXWWBYZJNKRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯 (CAS 89850-87-3), with molecular formula CN1CCCN2C1=NCCC2 and molecular weight 153.13 g/mol. IUPAC: 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
Chemical Property Profile of 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯
Property Insights of 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯
The XLogP value of -0.1 indicates that 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 18.8 Ų, 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-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 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯?
The CAS number of 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯 is 89850-87-3.
What is the molecular formula of 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯?
The molecular formula of 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯 is CN1CCCN2C1=NCCC2.
What is the molecular weight of 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯?
The molecular weight of 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯 is 153.13 g/mol.
Where can I buy 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯?
You can request a quote for 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯?
Yes, KEHONG BIO provides custom synthesis services for 7-甲基-1,5,7-三氮杂双环［4.4.0］癸-5-烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.