Win 54,461
TL;DR: Win 54,461 (CAS 166599-63-9) is a chemical compound with molecular formula C23H25BrN2O3 and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-bromo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
Also Known As: 6-Bromopravadoline, 6-diethylamino-2-picoline, [6-bromo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone, (6-Bromo-2-methyl-1-(2-(4-morpholinyl)ethyl)-1H-indol-3-yl)(4-methoxyphenyl)methanone, Methanone, (6-bromo-2-methyl-1-(2-(4-morpholinyl)ethyl)-1H-indol-3-yl)(4-methoxyphenyl)-
| Molecular Formula | C23H25BrN2O3 |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 4.28402 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.10486 |
| Heavy Atoms | 29 |
| Complexity | 1020.7741 |
Chemical Identifiers
| CAS Number | 166599-63-9 |
|---|---|
| SMILES | CC1=C(C2=C(N1CCN3CCOCC3)C=C(C=C2)Br)C(=O)C4=CC=C(C=C4)OC |
Product Overview
Win 54,461 (CAS 166599-63-9), with molecular formula C23H25BrN2O3 and molecular weight 456.10 g/mol. IUPAC: [6-bromo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone.
Chemical Property Profile of Win 54,461
Property Insights of Win 54,461
The XLogP value of 4.28402 indicates that Win 54,461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, Win 54,461 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Win 54,461 has 0 hydrogen bond donor(s) and 4 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 Win 54,461?
The CAS number of Win 54,461 is 166599-63-9.
What is the molecular formula of Win 54,461?
The molecular formula of Win 54,461 is C23H25BrN2O3.
What is the molecular weight of Win 54,461?
The molecular weight of Win 54,461 is 456.10 g/mol.
Where can I buy Win 54,461?
You can request a quote for Win 54,461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Win 54,461?
Yes, KEHONG BIO provides custom synthesis services for Win 54,461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.