J1.339.519E
TL;DR: J1.339.519E (CAS 45125-63-1) is a chemical compound with molecular formula C21H27N9O3 and molecular weight 453.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
Also Known As: J1.339.519E, 4-amino-n-{5-[(5-{[(3z)-3-amino-3-iminopropyl]carbamoyl}-1-methyl-1h-pyrrol-3-yl)carbamoyl]-1-methyl-1h-pyrrol-3-yl}-1-methyl-1h-pyrrole-2-carboxamide, 1H-Pyrrole-2-carboxamide, 4-amino-N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-, 3-[[[4-[[[4-[[(1-Methyl-4-amino-1H-pyrrole-2-yl)carbonyl]amino]-1-methyl-1H-pyrrole-2-yl]carbonyl]amino]-1-methyl-1H-pyrrole-2-yl]carbonyl]amino]propanamidine, 4-amino-N-[5-({5-[(2-carbamimidoylethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-pyrrole-2-carboxamide
| Molecular Formula | C21H27N9O3 |
|---|---|
| Molecular Weight | 453.22 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.2237 |
| Heavy Atoms | 33 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 45125-63-1 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)N |
| InChIKey | HHASBDZCPGTUKJ-UHFFFAOYSA-N |
Product Overview
J1.339.519E (CAS 45125-63-1), with molecular formula C21H27N9O3 and molecular weight 453.22 g/mol. IUPAC: 4-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide.
Chemical Property Profile of J1.339.519E
Property Insights of J1.339.519E
The XLogP value of -1.7 indicates that J1.339.519E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.0 Ų indicates high polarity, suggesting J1.339.519E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.339.519E 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 J1.339.519E?
The CAS number of J1.339.519E is 45125-63-1.
What is the molecular formula of J1.339.519E?
The molecular formula of J1.339.519E is C21H27N9O3.
What is the molecular weight of J1.339.519E?
The molecular weight of J1.339.519E is 453.22 g/mol.
Where can I buy J1.339.519E?
You can request a quote for J1.339.519E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.339.519E?
Yes, KEHONG BIO provides custom synthesis services for J1.339.519E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.