F1602-0418
TL;DR: F1602-0418 (CAS 866344-38-9) is a chemical compound with molecular formula C27H22FN5O5S and molecular weight 547.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-fluorophenyl)-3,5-dioxo-6-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate
Also Known As: F1602-0418, ethyl 3-(4-fluorophenyl)-2,4-dioxo-1-((4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl)-1,2,3,4,5,6-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(8H)-carboxylate, ethyl 4-(4-fluorophenyl)-3,5-dioxo-6-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-11-carboxylate, ethyl 3-(4-fluorophenyl)-2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate, ethyl 3-(p-fluorophenyl)-2,4-dioxo-1-[(4-oxo-1,4a-diaza-4H-naphth-2-yl)methyl]-9-thia-1,3,7-triaza-1,2,3,4,5,6,7,8-octahydro-7-fluorenecarboxylate
| Molecular Formula | C27H22FN5O5S |
|---|---|
| Molecular Weight | 547.13 g/mol |
| LogP | 2.9238 |
| Topological Polar Surface Area | 107.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 547.13257 |
| Heavy Atoms | 39 |
| Complexity | 1939.7178 |
Chemical Identifiers
| CAS Number | 866344-38-9 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC(=O)N5C=CC=CC5=N4)C6=CC=C(C=C6)F |
Product Overview
F1602-0418 (CAS 866344-38-9), with molecular formula C27H22FN5O5S and molecular weight 547.13 g/mol. IUPAC: ethyl 4-(4-fluorophenyl)-3,5-dioxo-6-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate.
Chemical Property Profile of F1602-0418
Property Insights of F1602-0418
The XLogP value of 2.9238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1602-0418. The TPSA of 107.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F1602-0418. Following Lipinski's Rule of Five, F1602-0418 has 0 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 F1602-0418?
The CAS number of F1602-0418 is 866344-38-9.
What is the molecular formula of F1602-0418?
The molecular formula of F1602-0418 is C27H22FN5O5S.
What is the molecular weight of F1602-0418?
The molecular weight of F1602-0418 is 547.13 g/mol.
Where can I buy F1602-0418?
You can request a quote for F1602-0418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1602-0418?
Yes, KEHONG BIO provides custom synthesis services for F1602-0418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.