4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride
TL;DR: 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride (CAS 101809-75-0) is a chemical compound with molecular formula C17H27Cl2N11O3 and molecular weight 503.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide;dihydrochloride
Also Known As: 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride, 1H-Imidazole-2-carboxamide, 4-((((aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, dihydrochloride, N-[2-({5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-imidazol-4-yl](carbamimidoylamino)ethanimidic acid--hydrogen chloride (1/2), N-[2-({5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-imidazol-4-yl]-2-carbamimidamidoethanimidic acid--hydrogen chloride (1/2), N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide dihydrochloride
| Molecular Formula | C17H27Cl2N11O3 |
|---|---|
| Molecular Weight | 503.17 g/mol |
| LogP | -0.87773 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 503.16754 |
| Heavy Atoms | 33 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 101809-75-0 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=NC(=CN2C)NC(=O)CN=C(N)N.Cl.Cl |
| InChIKey | VFRHEEGTEVOAFP-UHFFFAOYSA-N |
Product Overview
4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride (CAS 101809-75-0), with molecular formula C17H27Cl2N11O3 and molecular weight 503.17 g/mol. IUPAC: N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide;dihydrochloride.
Chemical Property Profile of 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride
Property Insights of 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride
The XLogP value of -0.87773 indicates that 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 224.0 Ų indicates high polarity, suggesting 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride has 9 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride?
The CAS number of 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride is 101809-75-0.
What is the molecular formula of 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride?
The molecular formula of 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride is C17H27Cl2N11O3.
What is the molecular weight of 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride?
The molecular weight of 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride is 503.17 g/mol.
Where can I buy 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride?
You can request a quote for 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.