RefChem:1086965
TL;DR: RefChem:1086965 (CAS 37175-90-9) is a chemical compound with molecular formula C12H19ClN6O3 and molecular weight 330.12 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]guanidine;hydrochloride
Also Known As: N-(1-Methyl-5-allyl-5-propylidenebarbituryl)aminoguanidine hydrochloride, Hydrazinecarboximidamide, 2-(2-(hexahydro-1-methyl-2,4,6-trioxo-5-(propenyl)-5-pyrimidinyl)-1-methylethylidene)-, hydrochloride, 5-Acetonyl-5-allyl-1-methylbarbituric acid 5-amidinohydrazone hydrochloride, Barbituric acid, 5-acetonyl-5-allyl-1-methyl-, 5-amidinohydrazone, hydrochloride, RefChem:1086965
| Molecular Formula | C12H19ClN6O3 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | -0.2817 |
| Topological Polar Surface Area | 143.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.12073 |
| Heavy Atoms | 22 |
| Complexity | 555.0648 |
Chemical Identifiers
| CAS Number | 37175-90-9 |
|---|---|
| SMILES | C/C(=N\N=C(N)N)/CC1(C(=O)NC(=O)N(C1=O)C)CC=C.Cl |
Product Overview
RefChem:1086965 (CAS 37175-90-9), with molecular formula C12H19ClN6O3 and molecular weight 330.12 g/mol. IUPAC: 2-[(E)-1-(1-methyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine;hydrochloride.
Chemical Property Profile of RefChem:1086965
Property Insights of RefChem:1086965
The XLogP value of -0.2817 indicates that RefChem:1086965 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.24 Ų indicates high polarity, suggesting RefChem:1086965 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1086965 has 3 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 RefChem:1086965?
The CAS number of RefChem:1086965 is 37175-90-9.
What is the molecular formula of RefChem:1086965?
The molecular formula of RefChem:1086965 is C12H19ClN6O3.
What is the molecular weight of RefChem:1086965?
The molecular weight of RefChem:1086965 is 330.12 g/mol.
Where can I buy RefChem:1086965?
You can request a quote for RefChem:1086965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086965?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.