F0595-0096
TL;DR: F0595-0096 (CAS 685860-35-9) is a chemical compound with molecular formula C26H22F2N4O5 and molecular weight 508.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(3,4-difluorobenzoyl)imino-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: F0595-0096, (E)-ethyl 2-((3,4-difluorobenzoyl)imino)-5-oxo-1-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2E)-2-{[(3,4-difluorophenyl)carbonyl]imino}-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ETHYL 2-[(3,4-DIFLUOROBENZOYL)IMINO]-5-OXO-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE, ethyl 6-(3,4-difluorobenzoyl)imino-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
| Molecular Formula | C26H22F2N4O5 |
|---|---|
| Molecular Weight | 508.16 g/mol |
| LogP | 3.0242 |
| Topological Polar Surface Area | 104.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.15582 |
| Heavy Atoms | 37 |
| Complexity | 1671.9434 |
Chemical Identifiers
| CAS Number | 685860-35-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC(=C(C=C4)F)F)CC5CCCO5 |
Product Overview
F0595-0096 (CAS 685860-35-9), with molecular formula C26H22F2N4O5 and molecular weight 508.16 g/mol. IUPAC: ethyl 6-(3,4-difluorobenzoyl)imino-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of F0595-0096
Property Insights of F0595-0096
The XLogP value of 3.0242 indicates that F0595-0096 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 F0595-0096. Following Lipinski's Rule of Five, F0595-0096 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 F0595-0096?
The CAS number of F0595-0096 is 685860-35-9.
What is the molecular formula of F0595-0096?
The molecular formula of F0595-0096 is C26H22F2N4O5.
What is the molecular weight of F0595-0096?
The molecular weight of F0595-0096 is 508.16 g/mol.
Where can I buy F0595-0096?
You can request a quote for F0595-0096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0595-0096?
Yes, KEHONG BIO provides custom synthesis services for F0595-0096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.