Bionet1_004125
TL;DR: Bionet1_004125 (CAS 477857-80-0) is a chemical compound with molecular formula C18H13ClN2O4S and molecular weight 388.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[2-(4-chloroanilino)-2-oxoacetyl]pyrrol-1-yl]thiophene-2-carboxylate
Also Known As: Bionet1_004125, DivK1c_002621, CDS1_001581, methyl 3-{2-[2-(4-chloroanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate, 11P-525S
| Molecular Formula | C18H13ClN2O4S |
|---|---|
| Molecular Weight | 388.03 g/mol |
| LogP | 3.8002 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.02844 |
| Heavy Atoms | 26 |
| Complexity | 975.2549 |
Chemical Identifiers
| CAS Number | 477857-80-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N2C=CC=C2C(=O)C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
Bionet1_004125 (CAS 477857-80-0), with molecular formula C18H13ClN2O4S and molecular weight 388.03 g/mol. IUPAC: methyl 3-[2-[2-(4-chloroanilino)-2-oxoacetyl]pyrrol-1-yl]thiophene-2-carboxylate.
Chemical Property Profile of Bionet1_004125
Property Insights of Bionet1_004125
The XLogP value of 3.8002 indicates that Bionet1_004125 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_004125. Following Lipinski's Rule of Five, Bionet1_004125 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_004125?
The CAS number of Bionet1_004125 is 477857-80-0.
What is the molecular formula of Bionet1_004125?
The molecular formula of Bionet1_004125 is C18H13ClN2O4S.
What is the molecular weight of Bionet1_004125?
The molecular weight of Bionet1_004125 is 388.03 g/mol.
Where can I buy Bionet1_004125?
You can request a quote for Bionet1_004125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004125?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.