N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl
TL;DR: N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl (CAS 37175-89-6) is a chemical compound with molecular formula C11H17ClN6O3 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-1-(2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine;hydrochloride
Also Known As: 5-Acetonyl-5-allylbarbituric acid 5-amidinohydrazone hydrochloride, N-(5-ALLYL-5-PROPYLIDENEBARBITURYL)AMINOGUANIDINE HCL, N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine hydrochloride, Barbituric acid, 5-acetonyl-5-allyl-, 5-amidinohydrazone, hydrochloride, Hydrazinecarboximidamide, 2-(2-(hexahydro-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl)-1-methylethylidene)-, hydrochloride
| Molecular Formula | C11H17ClN6O3 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | -0.6239 |
| Topological Polar Surface Area | 152.03 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.10507 |
| Heavy Atoms | 21 |
| Complexity | 504.0516 |
Chemical Identifiers
| CAS Number | 37175-89-6 |
|---|---|
| SMILES | C/C(=N\N=C(N)N)/CC1(C(=O)NC(=O)NC1=O)CC=C.Cl |
Product Overview
N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl (CAS 37175-89-6), with molecular formula C11H17ClN6O3 and molecular weight 316.11 g/mol. IUPAC: 2-[(E)-1-(2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine;hydrochloride.
Chemical Property Profile of N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl
Property Insights of N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl
The XLogP value of -0.6239 indicates that N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.03 Ų indicates high polarity, suggesting N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl has 4 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 N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl?
The CAS number of N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl is 37175-89-6.
What is the molecular formula of N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl?
The molecular formula of N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl is C11H17ClN6O3.
What is the molecular weight of N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl?
The molecular weight of N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl is 316.11 g/mol.
Where can I buy N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl?
You can request a quote for N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Allyl-5-propylidenebarbituryl)aminoguanidine HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.