Bionet1_004695
TL;DR: Bionet1_004695 (CAS 477871-89-9) is a chemical compound with molecular formula C20H23N3O3 and molecular weight 353.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(dimethylaminomethylidene)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: Bionet1_004695, methyl 4-(dimethylaminomethylidene)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrole-3-carboxylate, methyl 3-[(Z)-(dimethylamino)methylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate, methyl (4Z)-4-[(dimethylamino)methylidene]-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, Methyl 4-[(dimethylamino)methylene]-4,5-dihydro-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate
| Molecular Formula | C20H23N3O3 |
|---|---|
| Molecular Weight | 353.17 g/mol |
| LogP | 2.4451 |
| Topological Polar Surface Area | 65.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.17395 |
| Heavy Atoms | 26 |
| Complexity | 921.2793 |
Chemical Identifiers
| CAS Number | 477871-89-9 |
|---|---|
| SMILES | CC1=C(C(=CN(C)C)C(=O)N1CCC2=CNC3=CC=CC=C32)C(=O)OC |
Product Overview
Bionet1_004695 (CAS 477871-89-9), with molecular formula C20H23N3O3 and molecular weight 353.17 g/mol. IUPAC: methyl 4-(dimethylaminomethylidene)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of Bionet1_004695
Property Insights of Bionet1_004695
The XLogP value of 2.4451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004695. The TPSA of 65.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004695. Following Lipinski's Rule of Five, Bionet1_004695 has 1 hydrogen bond donor(s) and 4 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 Bionet1_004695?
The CAS number of Bionet1_004695 is 477871-89-9.
What is the molecular formula of Bionet1_004695?
The molecular formula of Bionet1_004695 is C20H23N3O3.
What is the molecular weight of Bionet1_004695?
The molecular weight of Bionet1_004695 is 353.17 g/mol.
Where can I buy Bionet1_004695?
You can request a quote for Bionet1_004695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004695?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.