Ici 181037
TL;DR: Ici 181037 (CAS 138779-29-0) is a chemical compound with molecular formula C24H34N2O4 and molecular weight 414.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide
Also Known As: Zeneca ZM-181037, Zeneca ZM181,037, Zeneca ZM-181,037, Zeneca ZM 181037, Ici 181037
| Molecular Formula | C24H34N2O4 |
|---|---|
| Molecular Weight | 414.25 g/mol |
| LogP | 3.0428 |
| Topological Polar Surface Area | 85.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.25186 |
| Heavy Atoms | 30 |
| Complexity | 889.01495 |
Chemical Identifiers
| CAS Number | 138779-29-0 |
|---|---|
| SMILES | C[C@H]([C@@](C1=CC=CC=C1OCC(=O)N)(C2=C(C=CC(=C2)C(C)(C)C)OC)O)N(C)C |
Product Overview
Ici 181037 (CAS 138779-29-0), with molecular formula C24H34N2O4 and molecular weight 414.25 g/mol. IUPAC: 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide.
Chemical Property Profile of Ici 181037
Property Insights of Ici 181037
The XLogP value of 3.0428 indicates that Ici 181037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Ici 181037. Following Lipinski's Rule of Five, Ici 181037 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ici 181037?
The CAS number of Ici 181037 is 138779-29-0.
What is the molecular formula of Ici 181037?
The molecular formula of Ici 181037 is C24H34N2O4.
What is the molecular weight of Ici 181037?
The molecular weight of Ici 181037 is 414.25 g/mol.
Where can I buy Ici 181037?
You can request a quote for Ici 181037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici 181037?
Yes, KEHONG BIO provides custom synthesis services for Ici 181037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.