Ici 207828
TL;DR: Ici 207828 (CAS 119778-11-9) is a chemical compound with molecular formula C24H36BrClN8O3 and molecular weight 598.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diamino-N-[2-[[3-[2-[(3-bromo-5-tert-butyl-2-hydroxyphenyl)methylamino]ethylamino]-3-oxopropyl]-methylamino]ethyl]-6-chloropyrazine-2-carboxamide
Also Known As: Ici 207828, Ici-207,828, 3,5-diamino-N-[2-[[3-[2-[(3-bromo-5-tert-butyl-2-hydroxyphenyl)methylamino]ethylamino]-3-oxopropyl]-methylamino]ethyl]-6-chloropyrazine-2-carboxamide, Pyrazinecarboxamide, 3,5-diamino-N-(2-((3-((2-(((3-bromo-5-(1,1-dimethylethyl)-2-hydroxyphenyl)methyl)amino)ethyl)amino)-3-oxopropyl)methylamino)ethyl)-6-chloro-, N-(2-(3-Bromo-5-tert-butyl-2-hydroxybenzylamino)ethyl)-3-(N-2-(3,4-diamino-6-chloropyrazin-2-ylcarboxamido)ethyl)-N-methylaminopropionamide
| Molecular Formula | C24H36BrClN8O3 |
|---|---|
| Molecular Weight | 598.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 598.1782 |
| Heavy Atoms | 37 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 119778-11-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)Br)O)CNCCNC(=O)CCN(C)CCNC(=O)C2=C(N=C(C(=N2)Cl)N)N |
| InChIKey | OBRXFUXYWFFYJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ici 207828 (CAS 119778-11-9), with molecular formula C24H36BrClN8O3 and molecular weight 598.18 g/mol. IUPAC: 3,5-diamino-N-[2-[[3-[2-[(3-bromo-5-tert-butyl-2-hydroxyphenyl)methylamino]ethylamino]-3-oxopropyl]-methylamino]ethyl]-6-chloropyrazine-2-carboxamide.
Chemical Property Profile of Ici 207828
Property Insights of Ici 207828
The XLogP value of 3.1 indicates that Ici 207828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting Ici 207828 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ici 207828 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ici 207828?
The CAS number of Ici 207828 is 119778-11-9.
What is the molecular formula of Ici 207828?
The molecular formula of Ici 207828 is C24H36BrClN8O3.
What is the molecular weight of Ici 207828?
The molecular weight of Ici 207828 is 598.18 g/mol.
Where can I buy Ici 207828?
You can request a quote for Ici 207828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici 207828?
Yes, KEHONG BIO provides custom synthesis services for Ici 207828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.