1H-1,3-Diazepine, hexahydro-2-(nitroimino)-
TL;DR: 1H-1,3-Diazepine, hexahydro-2-(nitroimino)- (CAS 28917-15-9) is a chemical compound with molecular formula C5H10N4O2 and molecular weight 158.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)nitramide
Also Known As: hexahydro-2-1h-1,3-diazepine, Hexahydro-2-(nitroimino)-1H-1,3-diazepine, N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)nitramide, 1H-1,3-DIAZEPINE, HEXAHYDRO-2-(NITROIMINO)-, 4-25-00-04689 (Beilstein Handbook Reference)
| Molecular Formula | C5H10N4O2 |
|---|---|
| Molecular Weight | 158.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.08037 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 28917-15-9 |
|---|---|
| SMILES | C1CCN=C(NC1)N[N+](=O)[O-] |
| InChIKey | IIUAUCCKFFABTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,3-Diazepine, hexahydro-2-(nitroimino)- (CAS 28917-15-9), with molecular formula C5H10N4O2 and molecular weight 158.08 g/mol. IUPAC: N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)nitramide.
Chemical Property Profile of 1H-1,3-Diazepine, hexahydro-2-(nitroimino)-
Property Insights of 1H-1,3-Diazepine, hexahydro-2-(nitroimino)-
The XLogP value of -0.1 indicates that 1H-1,3-Diazepine, hexahydro-2-(nitroimino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,3-Diazepine, hexahydro-2-(nitroimino)-. Following Lipinski's Rule of Five, 1H-1,3-Diazepine, hexahydro-2-(nitroimino)- has 2 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 1H-1,3-Diazepine, hexahydro-2-(nitroimino)-?
The CAS number of 1H-1,3-Diazepine, hexahydro-2-(nitroimino)- is 28917-15-9.
What is the molecular formula of 1H-1,3-Diazepine, hexahydro-2-(nitroimino)-?
The molecular formula of 1H-1,3-Diazepine, hexahydro-2-(nitroimino)- is C5H10N4O2.
What is the molecular weight of 1H-1,3-Diazepine, hexahydro-2-(nitroimino)-?
The molecular weight of 1H-1,3-Diazepine, hexahydro-2-(nitroimino)- is 158.08 g/mol.
Where can I buy 1H-1,3-Diazepine, hexahydro-2-(nitroimino)-?
You can request a quote for 1H-1,3-Diazepine, hexahydro-2-(nitroimino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,3-Diazepine, hexahydro-2-(nitroimino)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,3-Diazepine, hexahydro-2-(nitroimino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.