1,3-Diazaazulene
TL;DR: 1,3-Diazaazulene (CAS 275-94-5) is a chemical compound with molecular formula C8H6N2 and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohepta[d]imidazole
Also Known As: Cycloheptimidazole, cyclohepta[d]imidazole, 1,3-diazaazulene, 1,3-diaza-azulene, cyclohept[d]imidazole
| Molecular Formula | C8H6N2 |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.0531 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 275-94-5 |
|---|---|
| SMILES | C1=CC=C2C(=NC=N2)C=C1 |
| InChIKey | HPGSSIJHLUDJFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diazaazulene (CAS 275-94-5), with molecular formula C8H6N2 and molecular weight 130.05 g/mol. IUPAC: cyclohepta[d]imidazole.
Chemical Property Profile of 1,3-Diazaazulene
Property Insights of 1,3-Diazaazulene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazaazulene. With a topological polar surface area (TPSA) of 25.8 Ų, 1,3-Diazaazulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diazaazulene 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 1,3-Diazaazulene?
The CAS number of 1,3-Diazaazulene is 275-94-5.
What is the molecular formula of 1,3-Diazaazulene?
The molecular formula of 1,3-Diazaazulene is C8H6N2.
What is the molecular weight of 1,3-Diazaazulene?
The molecular weight of 1,3-Diazaazulene is 130.05 g/mol.
Where can I buy 1,3-Diazaazulene?
You can request a quote for 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 1,3-Diazaazulene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazaazulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.