F0595-0042
TL;DR: F0595-0042 (CAS 685859-90-9) is a chemical compound with molecular formula C31H30N4O5 and molecular weight 538.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2-ethoxynaphthalene-1-carbonyl)imino-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: F0595-0042, (E)-ethyl 2-((2-ethoxy-1-naphthoyl)imino)-1-isobutyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (6E)-6-[(2-ethoxynaphthalene-1-carbonyl)imino]-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl (2E)-2-{[(2-ethoxynaphthalen-1-yl)carbonyl]imino}-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ETHYL 2-{[(2-ETHOXY-1-NAPHTHYL)CARBONYL]IMINO}-1-ISOBUTYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE
| Molecular Formula | C31H30N4O5 |
|---|---|
| Molecular Weight | 538.22 g/mol |
| LogP | 4.7749 |
| Topological Polar Surface Area | 104.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.2216 |
| Heavy Atoms | 40 |
| Complexity | 1902.4178 |
Chemical Identifiers
| CAS Number | 685859-90-9 |
|---|---|
| SMILES | CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N=C3C(=CC4=C(N3CC(C)C)N=C5C=CC=CN5C4=O)C(=O)OCC |
Product Overview
F0595-0042 (CAS 685859-90-9), with molecular formula C31H30N4O5 and molecular weight 538.22 g/mol. IUPAC: ethyl 6-(2-ethoxynaphthalene-1-carbonyl)imino-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of F0595-0042
Property Insights of F0595-0042
The XLogP value of 4.7749 indicates that F0595-0042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.26 Ų falls within the moderate polarity range, balancing permeability and solubility for F0595-0042. Following Lipinski's Rule of Five, F0595-0042 has 0 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 F0595-0042?
The CAS number of F0595-0042 is 685859-90-9.
What is the molecular formula of F0595-0042?
The molecular formula of F0595-0042 is C31H30N4O5.
What is the molecular weight of F0595-0042?
The molecular weight of F0595-0042 is 538.22 g/mol.
Where can I buy F0595-0042?
You can request a quote for F0595-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0595-0042?
Yes, KEHONG BIO provides custom synthesis services for F0595-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.