F0595-0076
TL;DR: F0595-0076 (CAS 685860-17-7) is a chemical compound with molecular formula C27H24F2N4O4 and molecular weight 506.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-cyclohexyl-6-(3,4-difluorobenzoyl)imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: F0595-0076, (E)-ethyl 1-cyclohexyl-2-((3,4-difluorobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (6E)-7-cyclohexyl-6-[(3,4-difluorobenzoyl)imino]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl (2E)-1-cyclohexyl-2-{[(3,4-difluorophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ETHYL 1-CYCLOHEXYL-2-[(3,4-DIFLUOROBENZOYL)IMINO]-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE
| Molecular Formula | C27H24F2N4O4 |
|---|---|
| Molecular Weight | 506.18 g/mol |
| LogP | 4.3504 |
| Topological Polar Surface Area | 95.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 506.17657 |
| Heavy Atoms | 37 |
| Complexity | 1669.3824 |
Chemical Identifiers
| CAS Number | 685860-17-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC(=C(C=C4)F)F)C5CCCCC5 |
Product Overview
F0595-0076 (CAS 685860-17-7), with molecular formula C27H24F2N4O4 and molecular weight 506.18 g/mol. IUPAC: ethyl 7-cyclohexyl-6-(3,4-difluorobenzoyl)imino-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 F0595-0076
Property Insights of F0595-0076
The XLogP value of 4.3504 indicates that F0595-0076 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 F0595-0076. Following Lipinski's Rule of Five, F0595-0076 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 F0595-0076?
The CAS number of F0595-0076 is 685860-17-7.
What is the molecular formula of F0595-0076?
The molecular formula of F0595-0076 is C27H24F2N4O4.
What is the molecular weight of F0595-0076?
The molecular weight of F0595-0076 is 506.18 g/mol.
Where can I buy F0595-0076?
You can request a quote for F0595-0076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0595-0076?
Yes, KEHONG BIO provides custom synthesis services for F0595-0076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.