RefChem:1086964
TL;DR: RefChem:1086964 (CAS 37402-20-3) is a chemical compound with molecular formula C12H17N7O5 and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-1-(1-methyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]-1-nitroguanidine
Also Known As: N-(1-Methyl-5-allyl-5-propylidenebarbituryl)-nitroaminoguanidine, Hydrazinecarboximidamide, 2-(2-(hexahydro-1-methyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl)-1-methylethylidene)-N-nitro-, RefChem:1086964
| Molecular Formula | C12H17N7O5 |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | -0.8809 |
| Topological Polar Surface Area | 172.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.12912 |
| Heavy Atoms | 24 |
| Complexity | 656.1822 |
Chemical Identifiers
| CAS Number | 37402-20-3 |
|---|---|
| SMILES | C/C(=N\N=C(\N)/N[N+](=O)[O-])/CC1(C(=O)NC(=O)N(C1=O)C)CC=C |
Product Overview
RefChem:1086964 (CAS 37402-20-3), with molecular formula C12H17N7O5 and molecular weight 339.13 g/mol. IUPAC: 2-[(E)-1-(1-methyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]-1-nitroguanidine.
Chemical Property Profile of RefChem:1086964
Property Insights of RefChem:1086964
The XLogP value of -0.8809 indicates that RefChem:1086964 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.39 Ų indicates high polarity, suggesting RefChem:1086964 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1086964 has 3 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:1086964?
The CAS number of RefChem:1086964 is 37402-20-3.
What is the molecular formula of RefChem:1086964?
The molecular formula of RefChem:1086964 is C12H17N7O5.
What is the molecular weight of RefChem:1086964?
The molecular weight of RefChem:1086964 is 339.13 g/mol.
Where can I buy RefChem:1086964?
You can request a quote for RefChem:1086964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086964?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.