A1124/0052633
TL;DR: A1124/0052633 (CAS 312271-86-6) is a chemical compound with molecular formula C24H25BrN2O5 and molecular weight 500.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-6-bromo-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
Also Known As: A1124/0052633, ethyl 5-(acetyloxy)-6-bromo-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate, ethyl 5-acetyloxy-6-bromo-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate, ethyl 5-(acetyloxy)-6-bromo-2-[(4-phenyl-1-piperazinyl)methyl]-1-benzofuran-3-carboxylate, ethyl 5-acetoxy-6-bromo-2-((4-phenylpiperazin-1-yl)methyl)benzofuran-3-carboxylate
| Molecular Formula | C24H25BrN2O5 |
|---|---|
| Molecular Weight | 500.09 g/mol |
| LogP | 4.6195 |
| Topological Polar Surface Area | 72.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.09467 |
| Heavy Atoms | 32 |
| Complexity | 1120.37 |
Chemical Identifiers
| CAS Number | 312271-86-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C)Br)CN3CCN(CC3)C4=CC=CC=C4 |
Product Overview
A1124/0052633 (CAS 312271-86-6), with molecular formula C24H25BrN2O5 and molecular weight 500.09 g/mol. IUPAC: ethyl 5-acetyloxy-6-bromo-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate.
Chemical Property Profile of A1124/0052633
Property Insights of A1124/0052633
The XLogP value of 4.6195 indicates that A1124/0052633 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.22 Ų falls within the moderate polarity range, balancing permeability and solubility for A1124/0052633. Following Lipinski's Rule of Five, A1124/0052633 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1124/0052633?
The CAS number of A1124/0052633 is 312271-86-6.
What is the molecular formula of A1124/0052633?
The molecular formula of A1124/0052633 is C24H25BrN2O5.
What is the molecular weight of A1124/0052633?
The molecular weight of A1124/0052633 is 500.09 g/mol.
Where can I buy A1124/0052633?
You can request a quote for A1124/0052633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1124/0052633?
Yes, KEHONG BIO provides custom synthesis services for A1124/0052633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.