2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl-
TL;DR: 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl- (CAS 87373-47-5) is a chemical compound with molecular formula C9H14N2 and molecular weight 150.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-2,3-diazabicyclo[2.2.2]oct-2-ene
Also Known As: 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl-, 1-cyclopropyl-2,3-diazabicyclo[2.2.2]oct-2-ene, 4-cyclopropyl-2,3-diazabicyclo[2.2.2]oct-2-ene, 2,3-Diazabicyclo[2.2.2]oct-2-ene, 1-cyclopropyl-, RefChem:244438
| Molecular Formula | C9H14N2 |
|---|---|
| Molecular Weight | 150.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.11569 |
| Heavy Atoms | 11 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 87373-47-5 |
|---|---|
| SMILES | C1CC1C23CCC(CC2)N=N3 |
| InChIKey | ZKCUJKHBWPHGLE-UHFFFAOYSA-N |
Product Overview
2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl- (CAS 87373-47-5), with molecular formula C9H14N2 and molecular weight 150.12 g/mol. IUPAC: 1-cyclopropyl-2,3-diazabicyclo[2.2.2]oct-2-ene.
Chemical Property Profile of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl-
Property Insights of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl-. With a topological polar surface area (TPSA) of 24.7 Ų, 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl- 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 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl-?
The CAS number of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl- is 87373-47-5.
What is the molecular formula of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl-?
The molecular formula of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl- is C9H14N2.
What is the molecular weight of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl-?
The molecular weight of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl- is 150.12 g/mol.
Where can I buy 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl-?
You can request a quote for 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-cyclopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.