F1602-0553
TL;DR: F1602-0553 (CAS 866345-68-8) is a chemical compound with molecular formula C27H26ClN3O4S and molecular weight 523.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-6-[(2,5-dimethylphenyl)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: F1602-0553, ethyl 3-(4-chlorophenyl)-1-(2,5-dimethylbenzyl)-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-[(2,5-dimethylphenyl)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-(2,5-dimethylbenzyl)-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-[(2,5-dimethylphenyl)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 | C27H26ClN3O4S |
|---|---|
| Molecular Weight | 523.13 g/mol |
| LogP | 5.04704 |
| Topological Polar Surface Area | 73.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 523.13324 |
| Heavy Atoms | 36 |
| Complexity | 1600.7891 |
Chemical Identifiers
| CAS Number | 866345-68-8 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=C(C=CC(=C4)C)C)C5=CC=C(C=C5)Cl |
Product Overview
F1602-0553 (CAS 866345-68-8), with molecular formula C27H26ClN3O4S and molecular weight 523.13 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-6-[(2,5-dimethylphenyl)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 F1602-0553
Property Insights of F1602-0553
The XLogP value of 5.04704 indicates that F1602-0553 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 F1602-0553. Following Lipinski's Rule of Five, F1602-0553 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 F1602-0553?
The CAS number of F1602-0553 is 866345-68-8.
What is the molecular formula of F1602-0553?
The molecular formula of F1602-0553 is C27H26ClN3O4S.
What is the molecular weight of F1602-0553?
The molecular weight of F1602-0553 is 523.13 g/mol.
Where can I buy F1602-0553?
You can request a quote for F1602-0553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1602-0553?
Yes, KEHONG BIO provides custom synthesis services for F1602-0553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.