Ici 125436
TL;DR: Ici 125436 (CAS 6829-91-0) is a chemical compound with molecular formula C30H42N2O7 and molecular weight 542.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,2-dimethylpropanoyloxy)-4-[1-hydroxy-2-[[2-methyl-1-[(2-phenoxyacetyl)amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate
Also Known As: Ici 125436, Ici 125,436, ICI-125,436, [2-(2,2-dimethylpropanoyloxy)-4-[1-hydroxy-2-[[2-methyl-1-[(2-phenoxyacetyl)amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate, 4-[1-hydroxy-2-({2-methyl-1-[(phenoxyacetyl)amino]propan-2-yl}amino)ethyl]benzene-1,2-diyl bis(2,2-dimethylpropanoate)
| Molecular Formula | C30H42N2O7 |
|---|---|
| Molecular Weight | 542.30 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 542.2992 |
| Heavy Atoms | 39 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 6829-91-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC(C)(C)CNC(=O)COC2=CC=CC=C2)O)OC(=O)C(C)(C)C |
| InChIKey | SRCOWHUPXKTKOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ici 125436 (CAS 6829-91-0), with molecular formula C30H42N2O7 and molecular weight 542.30 g/mol. IUPAC: [2-(2,2-dimethylpropanoyloxy)-4-[1-hydroxy-2-[[2-methyl-1-[(2-phenoxyacetyl)amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate.
Chemical Property Profile of Ici 125436
Property Insights of Ici 125436
The XLogP value of 4.6 indicates that Ici 125436 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ici 125436. Following Lipinski's Rule of Five, Ici 125436 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ici 125436?
The CAS number of Ici 125436 is 6829-91-0.
What is the molecular formula of Ici 125436?
The molecular formula of Ici 125436 is C30H42N2O7.
What is the molecular weight of Ici 125436?
The molecular weight of Ici 125436 is 542.30 g/mol.
Where can I buy Ici 125436?
You can request a quote for Ici 125436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici 125436?
Yes, KEHONG BIO provides custom synthesis services for Ici 125436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.