RefChem:1086966
TL;DR: RefChem:1086966 (CAS 37175-92-1) is a chemical compound with molecular formula C11H15N7O5 and molecular weight 325.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-2-[(E)-1-(2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine
Also Known As: N-(5-Allyl-5-propylidenebarbituryl)nitroaminoguanidine, 5-Acetonyl-5-allylbarbituric acid 5-(N-nitroamidino)hydrazone, Barbituric acid, 5-acetonyl-5-allyl-, 5-(N-nitroamidino)hydrazone, Hydrazinecarboximidamide, 2-(2-(hexahydro-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl)-1-methylethylidene)-N-nitro-, RefChem:1086966
| Molecular Formula | C11H15N7O5 |
|---|---|
| Molecular Weight | 325.11 g/mol |
| LogP | -1.2231 |
| Topological Polar Surface Area | 181.18 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.11346 |
| Heavy Atoms | 23 |
| Complexity | 604.2549 |
Chemical Identifiers
| CAS Number | 37175-92-1 |
|---|---|
| SMILES | C/C(=N\N=C(\N)/N[N+](=O)[O-])/CC1(C(=O)NC(=O)NC1=O)CC=C |
Product Overview
RefChem:1086966 (CAS 37175-92-1), with molecular formula C11H15N7O5 and molecular weight 325.11 g/mol. IUPAC: 1-nitro-2-[(E)-1-(2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine.
Chemical Property Profile of RefChem:1086966
Property Insights of RefChem:1086966
The XLogP value of -1.2231 indicates that RefChem:1086966 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.18 Ų indicates high polarity, suggesting RefChem:1086966 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1086966 has 4 hydrogen bond donor(s) and 7 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 RefChem:1086966?
The CAS number of RefChem:1086966 is 37175-92-1.
What is the molecular formula of RefChem:1086966?
The molecular formula of RefChem:1086966 is C11H15N7O5.
What is the molecular weight of RefChem:1086966?
The molecular weight of RefChem:1086966 is 325.11 g/mol.
Where can I buy RefChem:1086966?
You can request a quote for RefChem:1086966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086966?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.