Bionet1_004037
TL;DR: Bionet1_004037 (CAS 477872-69-8) is a chemical compound with molecular formula C20H20N2O4S and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[2-(diethylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate
Also Known As: Bionet1_004037, DivK1c_002533, CDS1_001493, 1R-1301, methyl 3-{2-[2-(diethylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate
| Molecular Formula | C20H20N2O4S |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 3.5297 |
| Topological Polar Surface Area | 68.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.11438 |
| Heavy Atoms | 27 |
| Complexity | 1014.09033 |
Chemical Identifiers
| CAS Number | 477872-69-8 |
|---|---|
| SMILES | CCN(CC)C(=O)C(=O)C1=CC=CN1C2=C(SC3=CC=CC=C32)C(=O)OC |
Product Overview
Bionet1_004037 (CAS 477872-69-8), with molecular formula C20H20N2O4S and molecular weight 384.11 g/mol. IUPAC: methyl 3-[2-[2-(diethylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Bionet1_004037
Property Insights of Bionet1_004037
The XLogP value of 3.5297 indicates that Bionet1_004037 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_004037. Following Lipinski's Rule of Five, Bionet1_004037 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_004037?
The CAS number of Bionet1_004037 is 477872-69-8.
What is the molecular formula of Bionet1_004037?
The molecular formula of Bionet1_004037 is C20H20N2O4S.
What is the molecular weight of Bionet1_004037?
The molecular weight of Bionet1_004037 is 384.11 g/mol.
Where can I buy Bionet1_004037?
You can request a quote for Bionet1_004037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004037?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.