Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate
TL;DR: Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate (CAS 50469-23-3) is a chemical compound with molecular formula C25H28N2O6 and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioate
Also Known As: Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate, diethyl acetamido{[5-(benzyloxy)-1h-indol-3-yl]methyl}malonate, diethyl 2-acetamido-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl, diethyl 2-acetamido-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioate, Diethyl acetamido{[5-(benzyloxy)-1H-indol-3-yl]methyl}propanedioate
| Molecular Formula | C25H28N2O6 |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 452.19473 |
| Heavy Atoms | 33 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 50469-23-3 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)(C(=O)OCC)NC(=O)C |
| InChIKey | AIHVUEYJDRTUHZ-UHFFFAOYSA-N |
Product Overview
Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate (CAS 50469-23-3), with molecular formula C25H28N2O6 and molecular weight 452.19 g/mol. IUPAC: diethyl 2-acetamido-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioate.
Chemical Property Profile of Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate
Property Insights of Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate
The XLogP value of 3.7 indicates that Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate. Following Lipinski's Rule of Five, Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate has 2 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 Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate?
The CAS number of Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate is 50469-23-3.
What is the molecular formula of Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate?
The molecular formula of Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate is C25H28N2O6.
What is the molecular weight of Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate?
The molecular weight of Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate is 452.19 g/mol.
Where can I buy Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate?
You can request a quote for Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.