Bionet1_004039
TL;DR: Bionet1_004039 (CAS 477872-72-3) is a chemical compound with molecular formula C19H18N2O4S and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[2-oxo-2-(propylamino)acetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate
Also Known As: Bionet1_004039, DivK1c_002535, CDS1_001495, 1R-1304, methyl 3-{2-[2-oxo-2-(propylamino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate
| Molecular Formula | C19H18N2O4S |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 3.1875 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.09872 |
| Heavy Atoms | 26 |
| Complexity | 986.5088 |
Chemical Identifiers
| CAS Number | 477872-72-3 |
|---|---|
| SMILES | CCCNC(=O)C(=O)C1=CC=CN1C2=C(SC3=CC=CC=C32)C(=O)OC |
Product Overview
Bionet1_004039 (CAS 477872-72-3), with molecular formula C19H18N2O4S and molecular weight 370.10 g/mol. IUPAC: methyl 3-[2-[2-oxo-2-(propylamino)acetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Bionet1_004039
Property Insights of Bionet1_004039
The XLogP value of 3.1875 indicates that Bionet1_004039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004039. Following Lipinski's Rule of Five, Bionet1_004039 has 1 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_004039?
The CAS number of Bionet1_004039 is 477872-72-3.
What is the molecular formula of Bionet1_004039?
The molecular formula of Bionet1_004039 is C19H18N2O4S.
What is the molecular weight of Bionet1_004039?
The molecular weight of Bionet1_004039 is 370.10 g/mol.
Where can I buy Bionet1_004039?
You can request a quote for Bionet1_004039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004039?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.