ICI-118,551
TL;DR: ICI-118,551 (CAS 72795-19-8) is a chemical compound with molecular formula C17H27NO2 and molecular weight 277.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ICI-118,551
1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
Also Known As: Zenidolol, ICI-118,551, Lopac0_000714, ICI 118,551 hydrochloride, ICI 118551 Hydrochloride
| Molecular Formula | C17H27NO2 |
|---|---|
| Molecular Weight | 277.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.2042 |
| Heavy Atoms | 20 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 72795-19-8 |
|---|---|
| SMILES | CC1=C2CCCC2=C(C=C1)OCC(C(C)NC(C)C)O |
| InChIKey | VFIDUCMKNJIJTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ICI-118,551 (CAS 72795-19-8), with molecular formula C17H27NO2 and molecular weight 277.20 g/mol. IUPAC: 1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol.
Chemical Property Profile of ICI-118,551
Property Insights of ICI-118,551
The XLogP value of 3.3 indicates that Ici-118,551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, ICI-118,551 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ici-118,551 has 2 hydrogen bond donor(s) and 3 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-118,551?
The CAS number of Ici-118,551 is 72795-19-8.
What is the molecular formula of Ici-118,551?
The molecular formula of Ici-118,551 is C17H27NO2.
What is the molecular weight of Ici-118,551?
The molecular weight of Ici-118,551 is 277.20 g/mol.
Where can I buy Ici-118,551?
You can request a quote for Ici-118,551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici-118,551?
Yes, KEHONG BIO provides custom synthesis services for Ici-118,551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.