BAS 00545759
TL;DR: BAS 00545759 (CAS 313967-63-4) is a chemical compound with molecular formula C20H21FN2O5S and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
Also Known As: BAS 00545759, ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholin-4-ylcarbonyl)thiophene-3-carboxylate, ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate, ETHYL 2-(2-FLUOROBENZAMIDO)-4-METHYL-5-(MORPHOLINE-4-CARBONYL)THIOPHENE-3-CARBOXYLATE, ETHYL 2-[(2-FLUOROBENZOYL)AMINO]-4-METHYL-5-(MORPHOLINOCARBONYL)-3-THIOPHENECARBOXYLATE
| Molecular Formula | C20H21FN2O5S |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 3.09702 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.1155 |
| Heavy Atoms | 29 |
| Complexity | 936.94794 |
Chemical Identifiers
| CAS Number | 313967-63-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCOCC2)NC(=O)C3=CC=CC=C3F |
Product Overview
BAS 00545759 (CAS 313967-63-4), with molecular formula C20H21FN2O5S and molecular weight 420.12 g/mol. IUPAC: ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate.
Chemical Property Profile of BAS 00545759
Property Insights of BAS 00545759
The XLogP value of 3.09702 indicates that BAS 00545759 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00545759. Following Lipinski's Rule of Five, BAS 00545759 has 1 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 BAS 00545759?
The CAS number of BAS 00545759 is 313967-63-4.
What is the molecular formula of BAS 00545759?
The molecular formula of BAS 00545759 is C20H21FN2O5S.
What is the molecular weight of BAS 00545759?
The molecular weight of BAS 00545759 is 420.12 g/mol.
Where can I buy BAS 00545759?
You can request a quote for BAS 00545759 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00545759?
Yes, KEHONG BIO provides custom synthesis services for BAS 00545759 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.