Bionet1_004163
TL;DR: Bionet1_004163 (CAS 477863-37-9) is a chemical compound with molecular formula C20H18N2O4S and molecular weight 382.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(2-oxo-2-pyrrolidin-1-ylacetyl)pyrrol-1-yl]-1-benzothiophene-2-carboxylate
Also Known As: Bionet1_004163, DivK1c_002659, CDS1_001619, methyl 3-{2-[2-oxo-2-(1-pyrrolidinyl)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate, 12P-348S
| Molecular Formula | C20H18N2O4S |
|---|---|
| Molecular Weight | 382.10 g/mol |
| LogP | 3.2837 |
| Topological Polar Surface Area | 68.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.09872 |
| Heavy Atoms | 27 |
| Complexity | 1043.3699 |
Chemical Identifiers
| CAS Number | 477863-37-9 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)N4CCCC4 |
Product Overview
Bionet1_004163 (CAS 477863-37-9), with molecular formula C20H18N2O4S and molecular weight 382.10 g/mol. IUPAC: methyl 3-[2-(2-oxo-2-pyrrolidin-1-ylacetyl)pyrrol-1-yl]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Bionet1_004163
Property Insights of Bionet1_004163
The XLogP value of 3.2837 indicates that Bionet1_004163 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004163. Following Lipinski's Rule of Five, Bionet1_004163 has 0 hydrogen bond donor(s) and 5 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_004163?
The CAS number of Bionet1_004163 is 477863-37-9.
What is the molecular formula of Bionet1_004163?
The molecular formula of Bionet1_004163 is C20H18N2O4S.
What is the molecular weight of Bionet1_004163?
The molecular weight of Bionet1_004163 is 382.10 g/mol.
Where can I buy Bionet1_004163?
You can request a quote for Bionet1_004163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004163?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.