C9H9F3N4O3
TL;DR: C9H9F3N4O3 (CAS 313506-93-3) is a chemical compound with molecular formula C9H9F3N4O3 and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trifluoromethyl)-10,14-dioxa-2,3,5,7-tetrazatetracyclo[6.4.1.19,12.02,6]tetradeca-3,5-dien-8-ol
Also Known As: J1.056.563D, (5S,6R,9S,10S)-2-(trifluoromethyl)-4,5,6,8,9,10-hexahydro-6,9-epoxy-5,10-methano[1,2,4]triazolo[5,1-e][1,4,6]oxadiazonin-5-ol, 2-(Trifluoromethyl)-4,5,6,8,9,10-hexahydro-4,9-methano-5,8-epoxy-1,3,3a,10-tetraaza-7-oxacyclopentacyclononene-9-ol, 4-(trifluoromethyl)-10,14-dioxa-2,3,5,7-tetraazatetracyclo[6.4.1.1~9,12~.0~2,6~]tetradeca-3,5-dien-8-ol, 4-(trifluoromethyl)-10,14-dioxa-2,3,5,7-tetraazatetracyclo[6.4.1.19,12.02,6]tetradeca-3,5-dien-8-ol
| Molecular Formula | C9H9F3N4O3 |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | 0.0973 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.06268 |
| Heavy Atoms | 19 |
| Complexity | 547.3024 |
Chemical Identifiers
| CAS Number | 313506-93-3 |
|---|---|
| SMILES | C1C2C3COC(C1(NC4=NC(=NN24)C(F)(F)F)O)O3 |
Product Overview
C9H9F3N4O3 (CAS 313506-93-3), with molecular formula C9H9F3N4O3 and molecular weight 278.06 g/mol. IUPAC: 4-(trifluoromethyl)-10,14-dioxa-2,3,5,7-tetrazatetracyclo[6.4.1.19,12.02,6]tetradeca-3,5-dien-8-ol.
Chemical Property Profile of C9H9F3N4O3
Property Insights of C9H9F3N4O3
The XLogP value of 0.0973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C9H9F3N4O3. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for C9H9F3N4O3. Following Lipinski's Rule of Five, C9H9F3N4O3 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C9H9F3N4O3?
The CAS number of C9H9F3N4O3 is 313506-93-3.
What is the molecular formula of C9H9F3N4O3?
The molecular formula of C9H9F3N4O3 is C9H9F3N4O3.
What is the molecular weight of C9H9F3N4O3?
The molecular weight of C9H9F3N4O3 is 278.06 g/mol.
Where can I buy C9H9F3N4O3?
You can request a quote for C9H9F3N4O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H9F3N4O3?
Yes, KEHONG BIO provides custom synthesis services for C9H9F3N4O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.