C18H11ClFN3O2S
TL;DR: C18H11ClFN3O2S (CAS 689745-42-4) is a chemical compound with molecular formula C18H11ClFN3O2S and molecular weight 387.02444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-chloro-4-fluorophenyl)-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
Also Known As: F0598-0316, N-(3-chloro-4-fluorophenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide, N-(3-chloro-4-fluorophenyl)-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
Technical Specifications
| Molecular Formula | C18H11ClFN3O2S |
| Molecular Weight | 387.02444 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 90.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.02444 Da |
| Heavy Atoms | 26 |
| Complexity | 725.0 |
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)NC4=CC(=C(C=C4)F)Cl |
| InChIKey | LULZHPOCRSVNHH-UHFFFAOYSA-N |
Chemical Property Profile of C18H11ClFN3O2S
Property Insights of C18H11ClFN3O2S
The XLogP value of 3.8 indicates that C18H11ClFN3O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H11ClFN3O2S. Following Lipinski's Rule of Five, C18H11ClFN3O2S 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 C18H11ClFN3O2S?
The CAS number of C18H11ClFN3O2S is 689745-42-4.
What is the molecular formula of C18H11ClFN3O2S?
The molecular formula of C18H11ClFN3O2S is C18H11ClFN3O2S.
What is the molecular weight of C18H11ClFN3O2S?
The molecular weight of C18H11ClFN3O2S is 387.02444 g/mol.
Where can I buy C18H11ClFN3O2S?
You can request a quote for C18H11ClFN3O2S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H11ClFN3O2S?
Yes, CoreyChem provides custom synthesis services for C18H11ClFN3O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.