Bionet1_004672
TL;DR: Bionet1_004672 (CAS 1164473-60-2) is a chemical compound with molecular formula C20H26N2O5 and molecular weight 374.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(dimethylaminomethylidene)-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: Bionet1_004672, methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate, methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(dimethylaminomethylidene)-2-methyl-5-oxopyrrole-3-carboxylate, methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(dimethylamino)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
| Molecular Formula | C20H26N2O5 |
|---|---|
| Molecular Weight | 374.18 g/mol |
| LogP | 1.981 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.18417 |
| Heavy Atoms | 27 |
| Complexity | 795.5618 |
Chemical Identifiers
| CAS Number | 1164473-60-2 |
|---|---|
| SMILES | CC1=C(C(=CN(C)C)C(=O)N1CCC2=CC(=C(C=C2)OC)OC)C(=O)OC |
Product Overview
Bionet1_004672 (CAS 1164473-60-2), with molecular formula C20H26N2O5 and molecular weight 374.18 g/mol. IUPAC: methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(dimethylaminomethylidene)-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of Bionet1_004672
Property Insights of Bionet1_004672
The XLogP value of 1.981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004672. The TPSA of 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004672. Following Lipinski's Rule of Five, Bionet1_004672 has 0 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 Bionet1_004672?
The CAS number of Bionet1_004672 is 1164473-60-2.
What is the molecular formula of Bionet1_004672?
The molecular formula of Bionet1_004672 is C20H26N2O5.
What is the molecular weight of Bionet1_004672?
The molecular weight of Bionet1_004672 is 374.18 g/mol.
Where can I buy Bionet1_004672?
You can request a quote for Bionet1_004672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004672?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.