F1601-0514
TL;DR: F1601-0514 (CAS 866015-14-7) is a chemical compound with molecular formula C28H27ClN4O7S and molecular weight 598.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[2-(5-chloro-2,4-dimethoxyanilino)-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: F1601-0514, ethyl 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidine-7-carboxylate, ethyl 6-[2-(5-chloro-2,4-dimethoxyanilino)-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 1-(2-((5-chloro-2,4-dimethoxyphenyl)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 1-[(N-5-chloro-2,4-dimethoxyphenylcarbamoyl)methyl]-2,4-dioxo-3-phenyl-9-thia-1,3,7-triaza-1,2,3,4,5,6,7,8-octahydro-7-fluorenecarboxylate
| Molecular Formula | C28H27ClN4O7S |
|---|---|
| Molecular Weight | 598.13 g/mol |
| LogP | 4.0378 |
| Topological Polar Surface Area | 121.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 598.1289 |
| Heavy Atoms | 41 |
| Complexity | 1763.5577 |
Chemical Identifiers
| CAS Number | 866015-14-7 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC(=O)NC4=CC(=C(C=C4OC)OC)Cl)C5=CC=CC=C5 |
Product Overview
F1601-0514 (CAS 866015-14-7), with molecular formula C28H27ClN4O7S and molecular weight 598.13 g/mol. IUPAC: ethyl 6-[2-(5-chloro-2,4-dimethoxyanilino)-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 F1601-0514
Property Insights of F1601-0514
The XLogP value of 4.0378 indicates that F1601-0514 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.1 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0514. Following Lipinski's Rule of Five, F1601-0514 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1601-0514?
The CAS number of F1601-0514 is 866015-14-7.
What is the molecular formula of F1601-0514?
The molecular formula of F1601-0514 is C28H27ClN4O7S.
What is the molecular weight of F1601-0514?
The molecular weight of F1601-0514 is 598.13 g/mol.
Where can I buy F1601-0514?
You can request a quote for F1601-0514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0514?
Yes, KEHONG BIO provides custom synthesis services for F1601-0514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.