1,5-二氮杂二环［4.3.0］壬-5-烯
TL;DR: 1,5-二氮杂二环［4.3.0］壬-5-烯 (CAS 3001-72-7) is a chemical compound with molecular formula C7H12N2 and molecular weight 124.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-二氮杂二环［4.3.0］壬-5-烯
2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
Also Known As: 1,5-Diazabicyclo[4.3.0]non-5-ene, 2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine, chapso, diazabicyclononene, 1,5-Diazabicyclo(4.3.0)non-5-ene
| Molecular Formula | C7H12N2 |
|---|---|
| Molecular Weight | 124.10 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.10005 |
| Heavy Atoms | 9 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 3001-72-7 |
|---|---|
| SMILES | C1CC2=NCCCN2C1 |
| InChIKey | SGUVLZREKBPKCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-二氮杂二环［4.3.0］壬-5-烯 (CAS 3001-72-7), with molecular formula C7H12N2 and molecular weight 124.10 g/mol. IUPAC: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.
Chemical Property Profile of 1,5-二氮杂二环［4.3.0］壬-5-烯
Property Insights of 1,5-二氮杂二环［4.3.0］壬-5-烯
The XLogP value of -0.2 indicates that 1,5-二氮杂二环［4.3.0］壬-5-烯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 15.6 Ų, 1,5-二氮杂二环［4.3.0］壬-5-烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-二氮杂二环［4.3.0］壬-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 1,5-二氮杂二环［4.3.0］壬-5-烯?
The CAS number of 1,5-二氮杂二环［4.3.0］壬-5-烯 is 3001-72-7.
What is the molecular formula of 1,5-二氮杂二环［4.3.0］壬-5-烯?
The molecular formula of 1,5-二氮杂二环［4.3.0］壬-5-烯 is C7H12N2.
What is the molecular weight of 1,5-二氮杂二环［4.3.0］壬-5-烯?
The molecular weight of 1,5-二氮杂二环［4.3.0］壬-5-烯 is 124.10 g/mol.
Where can I buy 1,5-二氮杂二环［4.3.0］壬-5-烯?
You can request a quote for 1,5-二氮杂二环［4.3.0］壬-5-烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-二氮杂二环［4.3.0］壬-5-烯?
Yes, KEHONG BIO provides custom synthesis services for 1,5-二氮杂二环［4.3.0］壬-5-烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.