Bionet1_004123
TL;DR: Bionet1_004123 (CAS 477857-75-3) is a chemical compound with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]pyrrol-1-yl]thiophene-2-carboxylate
Also Known As: Bionet1_004123, DivK1c_002619, CDS1_001579, methyl 3-{2-[2-(2,6-dimethylmorpholino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate, methyl 3-[2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]pyrrol-1-yl]thiophene-2-carboxylate
| Molecular Formula | C18H20N2O5S |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 2.1439 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.10928 |
| Heavy Atoms | 26 |
| Complexity | 830.25995 |
Chemical Identifiers
| CAS Number | 477857-75-3 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C(=O)C(=O)C2=CC=CN2C3=C(SC=C3)C(=O)OC |
Product Overview
Bionet1_004123 (CAS 477857-75-3), with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol. IUPAC: methyl 3-[2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]pyrrol-1-yl]thiophene-2-carboxylate.
Chemical Property Profile of Bionet1_004123
Property Insights of Bionet1_004123
The XLogP value of 2.1439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004123. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004123. Following Lipinski's Rule of Five, Bionet1_004123 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_004123?
The CAS number of Bionet1_004123 is 477857-75-3.
What is the molecular formula of Bionet1_004123?
The molecular formula of Bionet1_004123 is C18H20N2O5S.
What is the molecular weight of Bionet1_004123?
The molecular weight of Bionet1_004123 is 376.11 g/mol.
Where can I buy Bionet1_004123?
You can request a quote for Bionet1_004123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004123?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.