J1.408.771K
TL;DR: J1.408.771K (CAS 213462-23-8) is a chemical compound with molecular formula C31H36N8O6 and molecular weight 616.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]benzoic acid
Also Known As: J1.408.771K, 2-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]benzoic acid, 2-{[5-({5-[(5-{[3-(dimethylamino)propyl]carbamoyl}-1-methyl-1h-pyrrol-3-yl)carbamoyl]-1-methyl-1h-pyrrol-3-yl}carbamoyl)-1-methyl-1h-pyrrol-3-yl]carbamoyl}benzoic acid, 2-[[[5-[[[5-[[[5-[[[3-(Dimethylamino)propyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]benzoic acid, 2-[[5-[[5-[[1-Methyl-5-[[3-(dimethylamino)propyl]carbamoyl]-1H-pyrrole-3-yl]carbamoyl]-1-methyl-1H-pyrrole-3-yl]carbamoyl]-1-methyl-1H-pyrrole-3-yl]carbamoyl]benzoic acid
| Molecular Formula | C31H36N8O6 |
|---|---|
| Molecular Weight | 616.28 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 616.27576 |
| Heavy Atoms | 45 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 213462-23-8 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)C4=CC=CC=C4C(=O)O |
| InChIKey | HXDVAKMECZKKPA-UHFFFAOYSA-N |
Product Overview
J1.408.771K (CAS 213462-23-8), with molecular formula C31H36N8O6 and molecular weight 616.28 g/mol. IUPAC: 2-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]benzoic acid.
Chemical Property Profile of J1.408.771K
Property Insights of J1.408.771K
The XLogP value of -1.4 indicates that J1.408.771K is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting J1.408.771K may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.408.771K has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.408.771K?
The CAS number of J1.408.771K is 213462-23-8.
What is the molecular formula of J1.408.771K?
The molecular formula of J1.408.771K is C31H36N8O6.
What is the molecular weight of J1.408.771K?
The molecular weight of J1.408.771K is 616.28 g/mol.
Where can I buy J1.408.771K?
You can request a quote for J1.408.771K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.408.771K?
Yes, KEHONG BIO provides custom synthesis services for J1.408.771K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.