Ilexside I
TL;DR: Ilexside I (CAS 83725-19-3) is a chemical compound with molecular formula C23H31BrN8O3 and molecular weight 546.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propyl]-2,2-dimethylpropanediamide
Also Known As: Ilexside I, 1z5m, N-(3-(4-(3-(3-amino-2,2-dimethyl-3-oxopropanamido)propylamino)-5-bromopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide, J2.190.925D, Propanediamide, N-(3-((5-bromo-2-((3-((1-pyrrolidinylcarbonyl)amino)phenyl)amino)-4-pyrimidinyl)amino)propyl)-2,2-dimethyl-
| Molecular Formula | C23H31BrN8O3 |
|---|---|
| Molecular Weight | 546.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 546.1702 |
| Heavy Atoms | 35 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 83725-19-3 |
|---|---|
| SMILES | CC(C)(C(=O)N)C(=O)NCCCNC1=NC(=NC=C1Br)NC2=CC(=CC=C2)NC(=O)N3CCCC3 |
| InChIKey | ZNSULAZTNWFKEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ilexside I (CAS 83725-19-3), with molecular formula C23H31BrN8O3 and molecular weight 546.17 g/mol. IUPAC: N'-[3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propyl]-2,2-dimethylpropanediamide.
Chemical Property Profile of Ilexside I
Property Insights of Ilexside I
The XLogP value of 3.0 indicates that Ilexside I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Ilexside I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ilexside I 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 Ilexside I?
The CAS number of Ilexside I is 83725-19-3.
What is the molecular formula of Ilexside I?
The molecular formula of Ilexside I is C23H31BrN8O3.
What is the molecular weight of Ilexside I?
The molecular weight of Ilexside I is 546.17 g/mol.
Where can I buy Ilexside I?
You can request a quote for Ilexside I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ilexside I?
Yes, KEHONG BIO provides custom synthesis services for Ilexside I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.