F1601-0513
TL;DR: F1601-0513 (CAS 866015-12-5) is a chemical compound with molecular formula C28H28N4O6S and molecular weight 548.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate
Also Known As: F1601-0513, ethyl 1-(2-((4-ethoxyphenyl)amino)-2-oxoethyl)-2,4-dioxo-3-phenyl-1,2,3,4,5,6-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(8H)-carboxylate, ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate, ethyl 6-{[(4-ethoxyphenyl)carbamoyl]methyl}-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-11-carboxylate, ETHYL 1-[2-(4-ETHOXYANILINO)-2-OXOETHYL]-2,4-DIOXO-3-PHENYL-1,3,4,5,6,8-HEXAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDINE-7(2H)-CARBOXYLATE
| Molecular Formula | C28H28N4O6S |
|---|---|
| Molecular Weight | 548.17 g/mol |
| LogP | 3.7659 |
| Topological Polar Surface Area | 111.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.173 |
| Heavy Atoms | 39 |
| Complexity | 1639.3237 |
Chemical Identifiers
| CAS Number | 866015-12-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CN2C3=C(C4=C(S3)CN(CC4)C(=O)OCC)C(=O)N(C2=O)C5=CC=CC=C5 |
Product Overview
F1601-0513 (CAS 866015-12-5), with molecular formula C28H28N4O6S and molecular weight 548.17 g/mol. IUPAC: ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate.
Chemical Property Profile of F1601-0513
Property Insights of F1601-0513
The XLogP value of 3.7659 indicates that F1601-0513 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.87 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0513. Following Lipinski's Rule of Five, F1601-0513 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1601-0513?
The CAS number of F1601-0513 is 866015-12-5.
What is the molecular formula of F1601-0513?
The molecular formula of F1601-0513 is C28H28N4O6S.
What is the molecular weight of F1601-0513?
The molecular weight of F1601-0513 is 548.17 g/mol.
Where can I buy F1601-0513?
You can request a quote for F1601-0513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0513?
Yes, KEHONG BIO provides custom synthesis services for F1601-0513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.