Bionet1_004061
TL;DR: Bionet1_004061 (CAS 477872-74-5) 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-(propan-2-ylamino)acetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate
Also Known As: Bionet1_004061, DivK1c_002557, CDS1_001517, 1R-1307, methyl 3-{2-[2-(isopropylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate
| Molecular Formula | C19H18N2O4S |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 3.1859 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.09872 |
| Heavy Atoms | 26 |
| Complexity | 1000.0605 |
Chemical Identifiers
| CAS Number | 477872-74-5 |
|---|---|
| SMILES | CC(C)NC(=O)C(=O)C1=CC=CN1C2=C(SC3=CC=CC=C32)C(=O)OC |
Product Overview
Bionet1_004061 (CAS 477872-74-5), with molecular formula C19H18N2O4S and molecular weight 370.10 g/mol. IUPAC: methyl 3-[2-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Bionet1_004061
Property Insights of Bionet1_004061
The XLogP value of 3.1859 indicates that Bionet1_004061 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_004061. Following Lipinski's Rule of Five, Bionet1_004061 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_004061?
The CAS number of Bionet1_004061 is 477872-74-5.
What is the molecular formula of Bionet1_004061?
The molecular formula of Bionet1_004061 is C19H18N2O4S.
What is the molecular weight of Bionet1_004061?
The molecular weight of Bionet1_004061 is 370.10 g/mol.
Where can I buy Bionet1_004061?
You can request a quote for Bionet1_004061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004061?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.