ChemDiv1_010448
TL;DR: ChemDiv1_010448 (CAS 85388-75-6) is a chemical compound with molecular formula C22H25BrN2O4 and molecular weight 460.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-2-[(N-methylanilino)methyl]-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_010448, AH-262/31840039, 6-bromo-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-[(N-methylanilino)methyl]-1-benzofuran-5-olate, ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-2-[(N-methylanilino)methyl]-1-benzofuran-3-carboxylate, ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-2-{[methyl(phenyl)amino]methyl}-1-benzofuran-3-carboxylate
| Molecular Formula | C22H25BrN2O4 |
|---|---|
| Molecular Weight | 460.10 g/mol |
| LogP | 4.7756 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.09976 |
| Heavy Atoms | 29 |
| Complexity | 1014.81934 |
Chemical Identifiers
| CAS Number | 85388-75-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN(C)C)O)Br)CN(C)C3=CC=CC=C3 |
Product Overview
ChemDiv1_010448 (CAS 85388-75-6), with molecular formula C22H25BrN2O4 and molecular weight 460.10 g/mol. IUPAC: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-2-[(N-methylanilino)methyl]-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010448
Property Insights of ChemDiv1_010448
The XLogP value of 4.7756 indicates that ChemDiv1_010448 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010448. Following Lipinski's Rule of Five, ChemDiv1_010448 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_010448?
The CAS number of ChemDiv1_010448 is 85388-75-6.
What is the molecular formula of ChemDiv1_010448?
The molecular formula of ChemDiv1_010448 is C22H25BrN2O4.
What is the molecular weight of ChemDiv1_010448?
The molecular weight of ChemDiv1_010448 is 460.10 g/mol.
Where can I buy ChemDiv1_010448?
You can request a quote for ChemDiv1_010448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010448?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.