A1793/0075953
TL;DR: A1793/0075953 (CAS 296791-50-9) is a chemical compound with molecular formula C27H22FN5O2S and molecular weight 499.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11E)-11-[(2-fluorophenyl)methylidene]-4,6-dimethyl-3,7-diphenyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione
Also Known As: A1793/0075953, (E)-6-(2-fluorobenzylidene)-1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione, 5-[(2-fluorophenyl)methylene]-10,12-dimethyl-1,9-diphenyl-6-thia-2,3,8,10,12-p entaazatricyclo[7.3.0.0<3,7>]dodec-7-ene-4,11-dione, 6-[(E)-1-(2-fluorophenyl)methylidene]-1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione, 6-[1-(2-Fluoro-phenyl)-meth-(E)-ylidene]-1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydro-1H-imidazo[ 4,5-e]thiazolo[3,2-b][1,2,4]triazine-2,7-dione
| Molecular Formula | C27H22FN5O2S |
|---|---|
| Molecular Weight | 499.15 g/mol |
| LogP | 2.7576 |
| Topological Polar Surface Area | 69.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.14783 |
| Heavy Atoms | 36 |
| Complexity | 1669.737 |
Chemical Identifiers
| CAS Number | 296791-50-9 |
|---|---|
| SMILES | CN1C(=O)N(C2(C1(NN3C(=O)/C(=C\C4=CC=CC=C4F)/SC3=N2)C5=CC=CC=C5)C6=CC=CC=C6)C |
Product Overview
A1793/0075953 (CAS 296791-50-9), with molecular formula C27H22FN5O2S and molecular weight 499.15 g/mol. IUPAC: (11E)-11-[(2-fluorophenyl)methylidene]-4,6-dimethyl-3,7-diphenyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione.
Chemical Property Profile of A1793/0075953
Property Insights of A1793/0075953
The XLogP value of 2.7576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1793/0075953. The TPSA of 69.94 Ų falls within the moderate polarity range, balancing permeability and solubility for A1793/0075953. Following Lipinski's Rule of Five, A1793/0075953 has 1 hydrogen bond donor(s) and 5 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 A1793/0075953?
The CAS number of A1793/0075953 is 296791-50-9.
What is the molecular formula of A1793/0075953?
The molecular formula of A1793/0075953 is C27H22FN5O2S.
What is the molecular weight of A1793/0075953?
The molecular weight of A1793/0075953 is 499.15 g/mol.
Where can I buy A1793/0075953?
You can request a quote for A1793/0075953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1793/0075953?
Yes, KEHONG BIO provides custom synthesis services for A1793/0075953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.