2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene
TL;DR: 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene (CAS 89169-91-5) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 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]imidazol-2-amine
Also Known As: J1.426.119B, 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene, 5-(2-Methyl-1,3-dioxolan-2-yl)cyclohepta[d]imidazol-2-amine, 5-(2-methyl-[1,3]dioxolan-2-yl)-cycloheptaimidazol-2-ylamine, 5-(2-Methyl-1,3-dioxolane-2-yl)cycloheptimidazole-2-amine
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 89169-91-5 |
|---|---|
| SMILES | CC1(OCCO1)C2=CC3=NC(=NC3=CC=C2)N |
| InChIKey | KLGRZMDSSAAUGP-UHFFFAOYSA-N |
Product Overview
2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene (CAS 89169-91-5), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 5-(2-methyl-1,3-dioxolan-2-yl)cyclohepta[d]imidazol-2-amine.
Chemical Property Profile of 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene
Property Insights of 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene. Following Lipinski's Rule of Five, 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene has 1 hydrogen bond donor(s) and 5 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-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene?
The CAS number of 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene is 89169-91-5.
What is the molecular formula of 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene?
The molecular formula of 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene is C12H13N3O2.
What is the molecular weight of 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene?
The molecular weight of 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene is 231.10 g/mol.
Where can I buy 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene?
You can request a quote for 2-Amino-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 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-(1,1-ethylenedioxyethyl)-1,3-diazaazulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.