Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
TL;DR: Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate (CAS 28958-87-4) is a chemical compound with molecular formula C7H12N4O4 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
Also Known As: Methyl (+)-hexahydro-2-(nitroimino)-1H-1,3-diazepine-4-carboxylate, Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate, methyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate, 1H-1,3-Diazepine-4-carboxylic acid, hexahydro-2-(nitroimino)-, methyl ester, (+)-, RefChem:1089314
| Molecular Formula | C7H12N4O4 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.08586 |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 28958-87-4 |
|---|---|
| SMILES | COC(=O)C1CCCN=C(N1)N[N+](=O)[O-] |
| InChIKey | WNOKAAKCULHZPY-UHFFFAOYSA-N |
Product Overview
Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate (CAS 28958-87-4), with molecular formula C7H12N4O4 and molecular weight 216.09 g/mol. IUPAC: methyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate.
Chemical Property Profile of Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
Property Insights of Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
The XLogP value of -0.1 indicates that Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate. Following Lipinski's Rule of Five, Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate has 2 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 Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
The CAS number of Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is 28958-87-4.
What is the molecular formula of Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
The molecular formula of Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is C7H12N4O4.
What is the molecular weight of Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
The molecular weight of Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is 216.09 g/mol.
Where can I buy Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
You can request a quote for Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.