F1602-0552
TL;DR: F1602-0552 (CAS 866345-67-7) is a chemical compound with molecular formula C25H21ClFN3O4S and molecular weight 513.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-6-[(2-fluorophenyl)methyl]-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate
Also Known As: F1602-0552, ethyl 3-(4-chlorophenyl)-1-(2-fluorobenzyl)-2,4-dioxo-1,2,3,4,5,6-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(8H)-carboxylate, ethyl 4-(4-chlorophenyl)-6-[(2-fluorophenyl)methyl]-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-11-carboxylate, ethyl 3-(4-chlorophenyl)-1-(2-fluorobenzyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate, ethyl 4-(4-chlorophenyl)-6-[(2-fluorophenyl)methyl]-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate
| Molecular Formula | C25H21ClFN3O4S |
|---|---|
| Molecular Weight | 513.09 g/mol |
| LogP | 4.5693 |
| Topological Polar Surface Area | 73.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.0925 |
| Heavy Atoms | 35 |
| Complexity | 1558.2123 |
Chemical Identifiers
| CAS Number | 866345-67-7 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4F)C5=CC=C(C=C5)Cl |
Product Overview
F1602-0552 (CAS 866345-67-7), with molecular formula C25H21ClFN3O4S and molecular weight 513.09 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-6-[(2-fluorophenyl)methyl]-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate.
Chemical Property Profile of F1602-0552
Property Insights of F1602-0552
The XLogP value of 4.5693 indicates that F1602-0552 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.54 Ų falls within the moderate polarity range, balancing permeability and solubility for F1602-0552. Following Lipinski's Rule of Five, F1602-0552 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1602-0552?
The CAS number of F1602-0552 is 866345-67-7.
What is the molecular formula of F1602-0552?
The molecular formula of F1602-0552 is C25H21ClFN3O4S.
What is the molecular weight of F1602-0552?
The molecular weight of F1602-0552 is 513.09 g/mol.
Where can I buy F1602-0552?
You can request a quote for F1602-0552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1602-0552?
Yes, KEHONG BIO provides custom synthesis services for F1602-0552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.