BAS 02280671
TL;DR: BAS 02280671 (CAS 1008487-80-6) is a chemical compound with molecular formula C21H20FN3O5S and molecular weight 445.11078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[5-[2-(4-fluoroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
Also Known As: BAS 02280671, methyl [5-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-3-(4-methoxyphenyl)-4-oxo-2-thioxoimidazolidin-1-yl]acetate, methyl 2-(5-(2-((4-fluorophenyl)amino)-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-thioxoimidazolidin-1-yl)acetate, METHYL 2-(5-{[(4-FLUOROPHENYL)CARBAMOYL]METHYL}-3-(4-METHOXYPHENYL)-4-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-1-YL)ACETATE, methyl 2-[5-[2-(4-fluoroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
Technical Specifications
| Molecular Formula | C21H20FN3O5S |
| Molecular Weight | 445.11078 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.11078 Da |
| Heavy Atoms | 31 |
| Complexity | 693.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC(=O)OC)CC(=O)NC3=CC=C(C=C3)F |
| InChIKey | LEGHDMUVDRBCTJ-UHFFFAOYSA-N |
Chemical Property Profile of BAS 02280671
Property Insights of BAS 02280671
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02280671. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02280671. Following Lipinski's Rule of Five, BAS 02280671 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 02280671?
The CAS number of BAS 02280671 is 1008487-80-6.
What is the molecular formula of BAS 02280671?
The molecular formula of BAS 02280671 is C21H20FN3O5S.
What is the molecular weight of BAS 02280671?
The molecular weight of BAS 02280671 is 445.11078 g/mol.
Where can I buy BAS 02280671?
You can request a quote for BAS 02280671 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 02280671?
Yes, CoreyChem provides custom synthesis services for BAS 02280671 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.