F0595-0013
TL;DR: F0595-0013 (CAS 685859-66-9) is a chemical compound with molecular formula C27H27ClN4O5 and molecular weight 522.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[2-(4-chlorophenoxy)-2-methylpropanoyl]imino-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: F0595-0013, (E)-ethyl 2-((2-(4-chlorophenoxy)-2-methylpropanoyl)imino)-5-oxo-1-propyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (6E)-6-{[2-(4-chlorophenoxy)-2-methylpropanoyl]imino}-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl (2E)-2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]imino}-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ETHYL 2-{[2-(4-CHLOROPHENOXY)-2-METHYLPROPANOYL]IMINO}-5-OXO-1-PROPYL-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE
| Molecular Formula | C27H27ClN4O5 |
|---|---|
| Molecular Weight | 522.17 g/mol |
| LogP | 4.1742 |
| Topological Polar Surface Area | 104.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.167 |
| Heavy Atoms | 37 |
| Complexity | 1620.7252 |
Chemical Identifiers
| CAS Number | 685859-66-9 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C1=NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)C(=O)OCC)C(=O)N4C=CC=CC4=N2 |
Product Overview
F0595-0013 (CAS 685859-66-9), with molecular formula C27H27ClN4O5 and molecular weight 522.17 g/mol. IUPAC: ethyl 6-[2-(4-chlorophenoxy)-2-methylpropanoyl]imino-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of F0595-0013
Property Insights of F0595-0013
The XLogP value of 4.1742 indicates that F0595-0013 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 F0595-0013. Following Lipinski's Rule of Five, F0595-0013 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 F0595-0013?
The CAS number of F0595-0013 is 685859-66-9.
What is the molecular formula of F0595-0013?
The molecular formula of F0595-0013 is C27H27ClN4O5.
What is the molecular weight of F0595-0013?
The molecular weight of F0595-0013 is 522.17 g/mol.
Where can I buy F0595-0013?
You can request a quote for F0595-0013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0595-0013?
Yes, KEHONG BIO provides custom synthesis services for F0595-0013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.