ChemDiv3_003414
TL;DR: ChemDiv3_003414 (CAS 438488-42-7) is a chemical compound with molecular formula C27H27FN2O4 and molecular weight 462.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
Also Known As: ChemDiv3_003414, IDI1_021324, ethyl 4-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-5-hydroxy-2-methylnaphtho[1,2-b]furan-3-carboxylate, F1094-0274, ethyl 4-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-5-hydroxy-2-methylnaphtho[1,2-b]furan-3-carboxylate
| Molecular Formula | C27H27FN2O4 |
|---|---|
| Molecular Weight | 462.20 g/mol |
| LogP | 5.23802 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1955 |
| Heavy Atoms | 34 |
| Complexity | 1372.326 |
Chemical Identifiers
| CAS Number | 438488-42-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)CN4CCN(CC4)C5=CC=CC=C5F)C |
Product Overview
ChemDiv3_003414 (CAS 438488-42-7), with molecular formula C27H27FN2O4 and molecular weight 462.20 g/mol. IUPAC: ethyl 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv3_003414
Property Insights of ChemDiv3_003414
The XLogP value of 5.23802 indicates that ChemDiv3_003414 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 ChemDiv3_003414. Following Lipinski's Rule of Five, ChemDiv3_003414 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_003414?
The CAS number of ChemDiv3_003414 is 438488-42-7.
What is the molecular formula of ChemDiv3_003414?
The molecular formula of ChemDiv3_003414 is C27H27FN2O4.
What is the molecular weight of ChemDiv3_003414?
The molecular weight of ChemDiv3_003414 is 462.20 g/mol.
Where can I buy ChemDiv3_003414?
You can request a quote for ChemDiv3_003414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003414?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.