IBS_STOCK4S-79796
TL;DR: IBS_STOCK4S-79796 (CAS 848736-17-4) is a chemical compound with molecular formula C23H25BrN2O5 and molecular weight 488.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromophenoxy)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylchromen-4-one
Also Known As: IBS_STOCK4S-79796, EINECS 284-396-2, 3-(2-bromophenoxy)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-methyl-4H-chromen-4-one, 3-(2-bromophenoxy)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-methyl-4H-chromen-4-one, F3385-1033
| Molecular Formula | C23H25BrN2O5 |
|---|---|
| Molecular Weight | 488.09 g/mol |
| LogP | 3.47172 |
| Topological Polar Surface Area | 86.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.09467 |
| Heavy Atoms | 31 |
| Complexity | 1138.7504 |
Chemical Identifiers
| CAS Number | 848736-17-4 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)CCO)OC4=CC=CC=C4Br |
Product Overview
IBS_STOCK4S-79796 (CAS 848736-17-4), with molecular formula C23H25BrN2O5 and molecular weight 488.09 g/mol. IUPAC: 3-(2-bromophenoxy)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylchromen-4-one.
Chemical Property Profile of IBS_STOCK4S-79796
Property Insights of IBS_STOCK4S-79796
The XLogP value of 3.47172 indicates that IBS_STOCK4S-79796 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.38 Ų falls within the moderate polarity range, balancing permeability and solubility for IBS_STOCK4S-79796. Following Lipinski's Rule of Five, IBS_STOCK4S-79796 has 2 hydrogen bond donor(s) and 7 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 IBS_STOCK4S-79796?
The CAS number of IBS_STOCK4S-79796 is 848736-17-4.
What is the molecular formula of IBS_STOCK4S-79796?
The molecular formula of IBS_STOCK4S-79796 is C23H25BrN2O5.
What is the molecular weight of IBS_STOCK4S-79796?
The molecular weight of IBS_STOCK4S-79796 is 488.09 g/mol.
Where can I buy IBS_STOCK4S-79796?
You can request a quote for IBS_STOCK4S-79796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IBS_STOCK4S-79796?
Yes, KEHONG BIO provides custom synthesis services for IBS_STOCK4S-79796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.