F0595-0005
TL;DR: F0595-0005 (CAS 685859-52-3) is a chemical compound with molecular formula C24H16F6N4O4 and molecular weight 538.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[3,5-bis(trifluoromethyl)benzoyl]imino-7-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: F0595-0005, (E)-ethyl 2-((3,5-bis(trifluoromethyl)benzoyl)imino)-1-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-2-({[3,5-bis(trifluoromethyl)phenyl]carbonyl}imino)-1-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ETHYL 2-{[3,5-BIS(TRIFLUOROMETHYL)BENZOYL]IMINO}-1-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE, ethyl 6-[3,5-bis(trifluoromethyl)benzoyl]imino-7-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
| Molecular Formula | C24H16F6N4O4 |
|---|---|
| Molecular Weight | 538.11 g/mol |
| LogP | 4.1416 |
| Topological Polar Surface Area | 95.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 538.10754 |
| Heavy Atoms | 38 |
| Complexity | 1702.9996 |
Chemical Identifiers
| CAS Number | 685859-52-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C |
Product Overview
F0595-0005 (CAS 685859-52-3), with molecular formula C24H16F6N4O4 and molecular weight 538.11 g/mol. IUPAC: ethyl 6-[3,5-bis(trifluoromethyl)benzoyl]imino-7-methyl-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 F0595-0005
Property Insights of F0595-0005
The XLogP value of 4.1416 indicates that F0595-0005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.03 Ų falls within the moderate polarity range, balancing permeability and solubility for F0595-0005. Following Lipinski's Rule of Five, F0595-0005 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0595-0005?
The CAS number of F0595-0005 is 685859-52-3.
What is the molecular formula of F0595-0005?
The molecular formula of F0595-0005 is C24H16F6N4O4.
What is the molecular weight of F0595-0005?
The molecular weight of F0595-0005 is 538.11 g/mol.
Where can I buy F0595-0005?
You can request a quote for F0595-0005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0595-0005?
Yes, KEHONG BIO provides custom synthesis services for F0595-0005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.