Ici 118551
TL;DR: Ici 118551 (CAS 149115-13-9) 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.
(2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
Also Known As: Ici 118551, ICI-118,551, (2R,3R)-ICI 118551, rac-(2R,3R)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(propan-2-yl)amino]butan-2-ol, (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
| Molecular Formula | C17H27NO2 |
|---|---|
| Molecular Weight | 277.20 g/mol |
| LogP | 2.60992 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.2042 |
| Heavy Atoms | 20 |
| Complexity | 456.54837 |
Chemical Identifiers
| CAS Number | 149115-13-9 |
|---|---|
| SMILES | CC1=C2CCCC2=C(C=C1)OC[C@H]([C@H](C)NC(C)C)O |
Product Overview
Ici 118551 (CAS 149115-13-9), with molecular formula C17H27NO2 and molecular weight 277.20 g/mol. IUPAC: (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol.
Chemical Property Profile of Ici 118551
Property Insights of Ici 118551
The XLogP value of 2.60992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ici 118551. With a topological polar surface area (TPSA) of 41.49 Ų, Ici 118551 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ici 118551 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 118551?
The CAS number of Ici 118551 is 149115-13-9.
What is the molecular formula of Ici 118551?
The molecular formula of Ici 118551 is C17H27NO2.
What is the molecular weight of Ici 118551?
The molecular weight of Ici 118551 is 277.20 g/mol.
Where can I buy Ici 118551?
You can request a quote for Ici 118551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici 118551?
Yes, KEHONG BIO provides custom synthesis services for Ici 118551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.