C20N31N8O3.ClH.Cl
TL;DR: C20N31N8O3.ClH.Cl (CAS 101772-46-7) is a chemical compound with molecular formula C20H32Cl2N8O3 and molecular weight 502.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium;chloride;hydrochloride
Also Known As: C20N31N8O3.ClH.Cl, 2-((5-(((5-(((Aminoiminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride, monohydrochloride, Ethanaminium, 2-((5-(((5-(((aminoiminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxo-, chloride, monohydrochloride, [2-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium chloride hydrochloride
| Molecular Formula | C20H32Cl2N8O3 |
|---|---|
| Molecular Weight | 502.20 g/mol |
| LogP | -2.25773 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.19745 |
| Heavy Atoms | 33 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 101772-46-7 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)C[N+](C)(C)C.Cl.[Cl-] |
| InChIKey | VXGRZRBFCKGOAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C20N31N8O3.ClH.Cl (CAS 101772-46-7), with molecular formula C20H32Cl2N8O3 and molecular weight 502.20 g/mol. IUPAC: [2-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium;chloride;hydrochloride.
Chemical Property Profile of C20N31N8O3.ClH.Cl
Property Insights of C20N31N8O3.ClH.Cl
The XLogP value of -2.25773 indicates that C20N31N8O3.ClH.Cl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting C20N31N8O3.ClH.Cl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20N31N8O3.ClH.Cl has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20N31N8O3.ClH.Cl?
The CAS number of C20N31N8O3.ClH.Cl is 101772-46-7.
What is the molecular formula of C20N31N8O3.ClH.Cl?
The molecular formula of C20N31N8O3.ClH.Cl is C20H32Cl2N8O3.
What is the molecular weight of C20N31N8O3.ClH.Cl?
The molecular weight of C20N31N8O3.ClH.Cl is 502.20 g/mol.
Where can I buy C20N31N8O3.ClH.Cl?
You can request a quote for C20N31N8O3.ClH.Cl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20N31N8O3.ClH.Cl?
Yes, KEHONG BIO provides custom synthesis services for C20N31N8O3.ClH.Cl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.