2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro-
TL;DR: 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro- (CAS 3993-62-2) is a chemical compound with molecular formula C6H8Cl2N2 and molecular weight 178.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dichloro-2,3-diazabicyclo[2.2.2]oct-2-ene
Also Known As: 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro-, 1,4-dichloro-2,3-diazabicyclo[2.2.2]oct-2-ene, J1.652.265A, 1,4-Dichlor-2,3-diazabicyclo<2.2.2>octen-(2), 1,4-dichloro-2,3-diazabicyclo[2.2.2]-oct-2-ene
| Molecular Formula | C6H8Cl2N2 |
|---|---|
| Molecular Weight | 178.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.00645 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 3993-62-2 |
|---|---|
| SMILES | C1CC2(CCC1(N=N2)Cl)Cl |
| InChIKey | OWBXCXYQZZBDAY-UHFFFAOYSA-N |
Product Overview
2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro- (CAS 3993-62-2), with molecular formula C6H8Cl2N2 and molecular weight 178.01 g/mol. IUPAC: 1,4-dichloro-2,3-diazabicyclo[2.2.2]oct-2-ene.
Chemical Property Profile of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro-
Property Insights of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro-. With a topological polar surface area (TPSA) of 24.7 Ų, 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro- 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, 1,4-dichloro- 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, 1,4-dichloro-?
The CAS number of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro- is 3993-62-2.
What is the molecular formula of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro-?
The molecular formula of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro- is C6H8Cl2N2.
What is the molecular weight of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro-?
The molecular weight of 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro- is 178.01 g/mol.
Where can I buy 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro-?
You can request a quote for 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro- 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, 1,4-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1,4-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.