![1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane) structure](/static/products/7449/744996-72-3.webp)
1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane)
TL;DR: 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane) (CAS 744996-72-3) is a chemical compound with molecular formula C16H30N8+2 and molecular weight 334.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)but-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Also Known As: 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane), 1,1'-(But-2-ene-1,4-diyl)bis(1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium)
| Molecular Formula | C16H30N8+2 |
|---|---|
| Molecular Weight | 334.26 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 19.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.25934 |
| Heavy Atoms | 24 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 744996-72-3 |
|---|---|
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CC=CC[N+]45CN6CN(C4)CN(C6)C5 |
| InChIKey | RHBBTPSZCUVJEU-UHFFFAOYSA-N |
Product Overview
1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane) (CAS 744996-72-3), with molecular formula C16H30N8+2 and molecular weight 334.26 g/mol. IUPAC: 1-[4-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)but-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane)
Property Insights of 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane)
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane). With a topological polar surface area (TPSA) of 19.4 Ų, 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane) has 0 hydrogen bond donor(s) and 6 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 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane)?
The CAS number of 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane) is 744996-72-3.
What is the molecular formula of 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane)?
The molecular formula of 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane) is C16H30N8+2.
What is the molecular weight of 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane)?
The molecular weight of 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane) is 334.26 g/mol.
Where can I buy 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane)?
You can request a quote for 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(2-Butene-1,4-diyl)bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.