1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1)
TL;DR: 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1) (CAS 294660-87-0) is a chemical compound with molecular formula C32H37Cl2N9O4S and molecular weight 713.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[(E)-3-[4-(2-chloroethylsulfanyl)phenyl]prop-2-enoyl]amino]-1-methylpyrrole-2-carboxamide;hydrochloride
Also Known As: 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1), 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propenyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride, N-(5-(N-(2-Amidinoethyl)carbamoyl)-1-methyl-1H-pyrrol-3-yl)-4-(4-(3-(4-(2-chloroethylsulfanyl)phenyl)-2(E)-propenamido)-1-methyl-1H-pyrrol-2-ylcarboxamido)-1-methyl-1H-pyrrole-2-carboxamide hydrochloride
| Molecular Formula | C32H37Cl2N9O4S |
|---|---|
| Molecular Weight | 713.21 g/mol |
| LogP | 4.66717 |
| Topological Polar Surface Area | 181.06 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 713.2066 |
| Heavy Atoms | 48 |
| Complexity | 1826.7015 |
Chemical Identifiers
| CAS Number | 294660-87-0 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC(=O)/C=C/C4=CC=C(C=C4)SCCCl.Cl |
Product Overview
1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1) (CAS 294660-87-0), with molecular formula C32H37Cl2N9O4S and molecular weight 713.21 g/mol. IUPAC: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[(E)-3-[4-(2-chloroethylsulfanyl)phenyl]prop-2-enoyl]amino]-1-methylpyrrole-2-carboxamide;hydrochloride.
Chemical Property Profile of 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1)
Property Insights of 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1)
The XLogP value of 4.66717 indicates that 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.06 Ų indicates high polarity, suggesting 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1) has 6 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 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1)?
The CAS number of 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1) is 294660-87-0.
What is the molecular formula of 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1)?
The molecular formula of 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1) is C32H37Cl2N9O4S.
What is the molecular weight of 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1)?
The molecular weight of 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1) is 713.21 g/mol.
Where can I buy 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1)?
You can request a quote for 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((3-(4-((2-chloroethyl)thio)phenyl)-1-oxo-2-propen-1-yl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.