C20H18BrFN2O3S
TL;DR: C20H18BrFN2O3S (CAS 1024235-95-7) is a chemical compound with molecular formula C20H18BrFN2O3S and molecular weight 464.02054 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-bromo-10-(4-fluorophenyl)-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate
Also Known As: ethyl 8-bromo-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate, F1601-0379, ethyl 4-bromo-10-(4-fluorophenyl)-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-triene-13-carboxylate, ethyl 4-bromo-10-(4-fluorophenyl)-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate, ethyl 8-bromo-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate
Technical Specifications
| Molecular Formula | C20H18BrFN2O3S |
| Molecular Weight | 464.02054 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.02054 Da |
| Heavy Atoms | 28 |
| Complexity | 633.0 |
| SMILES | CCOC(=O)C1C2C3=C(C=CC(=C3)Br)OC1(N(C(=S)N2)C4=CC=C(C=C4)F)C |
| InChIKey | SMIDTWIYGHBMEP-UHFFFAOYSA-N |
Chemical Property Profile of C20H18BrFN2O3S
Property Insights of C20H18BrFN2O3S
The XLogP value of 4.1 indicates that C20H18BrFN2O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H18BrFN2O3S. Following Lipinski's Rule of Five, C20H18BrFN2O3S 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
What is the CAS number of C20H18BrFN2O3S?
The CAS number of C20H18BrFN2O3S is 1024235-95-7.
What is the molecular formula of C20H18BrFN2O3S?
The molecular formula of C20H18BrFN2O3S is C20H18BrFN2O3S.
What is the molecular weight of C20H18BrFN2O3S?
The molecular weight of C20H18BrFN2O3S is 464.02054 g/mol.
Where can I buy C20H18BrFN2O3S?
You can request a quote for C20H18BrFN2O3S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C20H18BrFN2O3S?
Yes, CoreyChem provides custom synthesis services for C20H18BrFN2O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.