Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
TL;DR: Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate (CAS 31695-51-9) is a chemical compound with molecular formula C9H16N4O4 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
Also Known As: propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1h-1,3-diazepine-7-carboxylate, (+)-Isopropyl hexahydro-2-(nitroimino)-1H-1,3-diazepine-4-carboxylate, 1H-1,3-Diazepine-4-carboxylic acid, hexahydro-2-(nitroimino)-, isopropyl ester, (+)-, propan-2-yl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate, 1H-1,3-Diazepine-4-carboxylicacid, 4,5,6,7-tetrahydro-2-(nitroamino)-, 1-methylethyl ester, (+)- (9CI)
| Molecular Formula | C9H16N4O4 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.11716 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 31695-51-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1CCCN=C(N1)N[N+](=O)[O-] |
| InChIKey | PLVLCORAOVHTEX-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate (CAS 31695-51-9), with molecular formula C9H16N4O4 and molecular weight 244.12 g/mol. IUPAC: propan-2-yl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate.
Chemical Property Profile of Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
Property Insights of Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 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 Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 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 Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
The CAS number of Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is 31695-51-9.
What is the molecular formula of Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
The molecular formula of Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is C9H16N4O4.
What is the molecular weight of Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
The molecular weight of Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is 244.12 g/mol.
Where can I buy Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
You can request a quote for Propan-2-yl 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 Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 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.