![1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione structure](/static/products/7617/76170-95-1.webp)
1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
TL;DR: 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione (CAS 76170-95-1) is a chemical compound with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
Also Known As: PDSP1_001140, PDSP2_001124, 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione, 1,4,6,7-Tetrahydro-1,4,7-trimethylimidazo[4,5-e][1,4]diazepine-5,8-dione, 1,4,7-Trimethyl-1,4,6,7-tetrahydroimidazo[4,5-E][1,4]diazepine-5,8-dione
| Molecular Formula | C9H12N4O2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.09602 |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 76170-95-1 |
|---|---|
| SMILES | CN1CC(=O)N(C2=C(C1=O)N(C=N2)C)C |
| InChIKey | JBCCCARXTWCXQP-UHFFFAOYSA-N |
Product Overview
1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione (CAS 76170-95-1), with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol. IUPAC: 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione.
Chemical Property Profile of 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
Property Insights of 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
The XLogP value of -0.3 indicates that 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione has 0 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 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The CAS number of 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione is 76170-95-1.
What is the molecular formula of 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The molecular formula of 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione is C9H12N4O2.
What is the molecular weight of 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The molecular weight of 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione is 208.10 g/mol.
Where can I buy 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
You can request a quote for 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.