1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl-
TL;DR: 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl- (CAS 54978-22-2) is a chemical compound with molecular formula C10H13N5O4 and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-nitro-6,6-bis(prop-2-enyl)-1H-1,2,4-triazepine-5,7-dione
Also Known As: 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl-, 3-Amino-4-nitro-6,6-di-2-propenyl-1H-1,2,4-triazepine-5,7(4H,6H)-dione, 1,2,4,5,6,7-Hexahydro-3-imino-4-nitro-5,7-diketo-6,6-diallyl-3H-1,2,4-triazepine, 3-amino-4-nitro-6,6-bis(prop-2-enyl)-1H-1,2,4-triazepine-5,7-dione, 3-Amino-4-nitro-6,6-di(prop-2-en-1-yl)-1H-1,2,4-triazepine-5,7(4H,6H)-dione
| Molecular Formula | C10H13N5O4 |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | -0.4952 |
| Topological Polar Surface Area | 130.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.09674 |
| Heavy Atoms | 19 |
| Complexity | 474.31168 |
Chemical Identifiers
| CAS Number | 54978-22-2 |
|---|---|
| SMILES | C=CCC1(C(=O)NN=C(N(C1=O)[N+](=O)[O-])N)CC=C |
Product Overview
1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl- (CAS 54978-22-2), with molecular formula C10H13N5O4 and molecular weight 267.10 g/mol. IUPAC: 3-amino-4-nitro-6,6-bis(prop-2-enyl)-1H-1,2,4-triazepine-5,7-dione.
Chemical Property Profile of 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl-
Property Insights of 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl-
The XLogP value of -0.4952 indicates that 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl- has 2 hydrogen bond donor(s) and 6 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-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl-?
The CAS number of 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl- is 54978-22-2.
What is the molecular formula of 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl-?
The molecular formula of 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl- is C10H13N5O4.
What is the molecular weight of 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl-?
The molecular weight of 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl- is 267.10 g/mol.
Where can I buy 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl-?
You can request a quote for 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.