![13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione structure](/static/products/874/874396-26-6.png)
13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione
TL;DR: 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione (CAS 874396-26-6) is a chemical compound with molecular formula C25H15FN2O4 and molecular weight 426.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
Also Known As: 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione, 8-(3-fluorophenyl)-9-(5-methyl-1,2-oxazol-3-yl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione, 8-(3-fluorophenyl)-9-(5-methylisoxazol-3-yl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione, 8-(3-fluorophenyl)-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]chromene -7,10-dione
| Molecular Formula | C25H15FN2O4 |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 5.13152 |
| Topological Polar Surface Area | 76.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.1016 |
| Heavy Atoms | 32 |
| Complexity | 1617.9625 |
Chemical Identifiers
| CAS Number | 874396-26-6 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(C3=C(C2=O)OC4=C(C3=O)C=CC5=CC=CC=C54)C6=CC(=CC=C6)F |
Product Overview
13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione (CAS 874396-26-6), with molecular formula C25H15FN2O4 and molecular weight 426.10 g/mol. IUPAC: 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione.
Chemical Property Profile of 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione
Property Insights of 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione
The XLogP value of 5.13152 indicates that 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione. Following Lipinski's Rule of Five, 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione 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 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione?
The CAS number of 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione is 874396-26-6.
What is the molecular formula of 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione?
The molecular formula of 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione is C25H15FN2O4.
What is the molecular weight of 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione?
The molecular weight of 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione is 426.10 g/mol.
Where can I buy 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione?
You can request a quote for 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione?
Yes, KEHONG BIO provides custom synthesis services for 13-(3-fluorophenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1,3,5,7,9,12(16)-hexaene-11,15-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.