Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
TL;DR: Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate (CAS 28958-88-5) is a chemical compound with molecular formula C8H14N4O4 and molecular weight 230.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
Also Known As: ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate, Ethyl (+)-hexahydro-2-(nitroimino)-1H-1,3-diazepine-4-carboxylate, ethyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate, 1H-1,3-Diazepine-4-carboxylic acid, hexahydro-2-(nitroimino)-, ethyl ester, (+)-, RefChem:1084782
| Molecular Formula | C8H14N4O4 |
|---|---|
| Molecular Weight | 230.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.1015 |
| Heavy Atoms | 16 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 28958-88-5 |
|---|---|
| SMILES | CCOC(=O)C1CCCN=C(N1)N[N+](=O)[O-] |
| InChIKey | WMTZYHIVVHJKAB-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate (CAS 28958-88-5), with molecular formula C8H14N4O4 and molecular weight 230.10 g/mol. IUPAC: ethyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate.
Chemical Property Profile of Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
Property Insights of Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
The CAS number of Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is 28958-88-5.
What is the molecular formula of Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
The molecular formula of Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is C8H14N4O4.
What is the molecular weight of Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
The molecular weight of Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is 230.10 g/mol.
Where can I buy Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
You can request a quote for Ethyl 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 Ethyl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 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.