F1601-0157
TL;DR: F1601-0157 (CAS 865656-06-0) is a chemical compound with molecular formula C28H28N4O5S and molecular weight 532.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[2-(3,4-dimethylanilino)-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: F1601-0157, ethyl 1-(2-((3,4-dimethylphenyl)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-{[(3,4-dimethylphenyl)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-(3,4-DIMETHYLANILINO)-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, ethyl 6-[2-(3,4-dimethylanilino)-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
| Molecular Formula | C28H28N4O5S |
|---|---|
| Molecular Weight | 532.18 g/mol |
| LogP | 3.98404 |
| Topological Polar Surface Area | 102.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.17804 |
| Heavy Atoms | 38 |
| Complexity | 1668.8032 |
Chemical Identifiers
| CAS Number | 865656-06-0 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC(=O)NC4=CC(=C(C=C4)C)C)C5=CC=CC=C5 |
Product Overview
F1601-0157 (CAS 865656-06-0), with molecular formula C28H28N4O5S and molecular weight 532.18 g/mol. IUPAC: ethyl 6-[2-(3,4-dimethylanilino)-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 F1601-0157
Property Insights of F1601-0157
The XLogP value of 3.98404 indicates that F1601-0157 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.64 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0157. Following Lipinski's Rule of Five, F1601-0157 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1601-0157?
The CAS number of F1601-0157 is 865656-06-0.
What is the molecular formula of F1601-0157?
The molecular formula of F1601-0157 is C28H28N4O5S.
What is the molecular weight of F1601-0157?
The molecular weight of F1601-0157 is 532.18 g/mol.
Where can I buy F1601-0157?
You can request a quote for F1601-0157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0157?
Yes, KEHONG BIO provides custom synthesis services for F1601-0157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.