5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene
TL;DR: 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene (CAS 96472-05-8) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methyl-1,3-dioxolan-2-yl)cyclohepta[d]imidazole
Also Known As: 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene, J1.425.073E, 5-(2-methyl-[1,3]dioxolan-2-yl)-cycloheptaimidazole, 5-(2-Methyl-1,3-dioxolan-2-yl)cyclohepta[d]imidazole, 5-(2-Methyl-1,3-dioxolan-2-yl)cycloheptimidazole
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 44.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 96472-05-8 |
|---|---|
| SMILES | CC1(OCCO1)C2=CC3=NC=NC3=CC=C2 |
| InChIKey | SOIZAYHRMFAHNZ-UHFFFAOYSA-N |
Product Overview
5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene (CAS 96472-05-8), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 5-(2-methyl-1,3-dioxolan-2-yl)cyclohepta[d]imidazole.
Chemical Property Profile of 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene
Property Insights of 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene. With a topological polar surface area (TPSA) of 44.2 Ų, 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene has 0 hydrogen bond donor(s) and 4 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 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene?
The CAS number of 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene is 96472-05-8.
What is the molecular formula of 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene?
The molecular formula of 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene is C12H12N2O2.
What is the molecular weight of 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene?
The molecular weight of 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene is 216.09 g/mol.
Where can I buy 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene?
You can request a quote for 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,1-Ethylenedioxyethyl)-1,3-diazaazulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.