![6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione structure](/static/products/169/169317-85-5.png)
6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione
TL;DR: 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione (CAS 169317-85-5) is a chemical compound with molecular formula C6H5N5O2 and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3,7-dihydroimidazo[4,5-e][1,3]diazepine-4,8-dione
Also Known As: 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione, Imidazo[4,5-e][1,3]diazepine-4,8(1H,5H)-dione, 6-amino-, 6-amino-3,7-dihydroimidazo[4,5-e][1,3]diazepine-4,8-dione, 6-Imino-6,7-dihydroimidazo[4,5-e][1,3]diazepine-4,8(1H,5H)-dione
| Molecular Formula | C6H5N5O2 |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.04433 |
| Heavy Atoms | 13 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 169317-85-5 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=O)N=C(NC2=O)N |
| InChIKey | OBUMKYUZIHSFTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione (CAS 169317-85-5), with molecular formula C6H5N5O2 and molecular weight 179.04 g/mol. IUPAC: 6-amino-3,7-dihydroimidazo[4,5-e][1,3]diazepine-4,8-dione.
Chemical Property Profile of 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione
Property Insights of 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione
The XLogP value of -1.2 indicates that 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione. Following Lipinski's Rule of Five, 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione has 3 hydrogen bond donor(s) and 3 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 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione?
The CAS number of 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione is 169317-85-5.
What is the molecular formula of 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione?
The molecular formula of 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione is C6H5N5O2.
What is the molecular weight of 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione?
The molecular weight of 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione is 179.04 g/mol.
Where can I buy 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione?
You can request a quote for 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.