C28H22N6O3S
TL;DR: C28H22N6O3S (CAS 1650570-58-3) is a chemical compound with molecular formula C28H22N6O3S and molecular weight 522.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(11Z)-4,6-dimethyl-11-(2-oxo-1H-indol-3-ylidene)-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: (6Z)-1,3-dimethyl-6-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-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, (Z)-1,3-dimethyl-6-(2-oxoindolin-3-ylidene)-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione, 1,3-dimethyl-6-(2-oxo-1,2-dihydro-3H-indol-3-yliden)-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H)-dione
Technical Specifications
| Molecular Formula | C28H22N6O3S |
| Molecular Weight | 522.1474 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 522.1474 Da |
| Heavy Atoms | 38 |
| Complexity | 1130.0 |
| SMILES | CN1C(=O)N(C2(C1(NN3C(=O)/C(=C/4\C5=CC=CC=C5NC4=O)/SC3=N2)C6=CC=CC=C6)C7=CC=CC=C7)C |
| InChIKey | XQIRFNMJKOFJIP-DQRAZIAOSA-N |
Chemical Property Profile of C28H22N6O3S
Property Insights of C28H22N6O3S
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C28H22N6O3S. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H22N6O3S. Following Lipinski's Rule of Five, C28H22N6O3S has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C28H22N6O3S?
The CAS number of C28H22N6O3S is 1650570-58-3.
What is the molecular formula of C28H22N6O3S?
The molecular formula of C28H22N6O3S is C28H22N6O3S.
What is the molecular weight of C28H22N6O3S?
The molecular weight of C28H22N6O3S is 522.1474 g/mol.
Where can I buy C28H22N6O3S?
You can request a quote for C28H22N6O3S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C28H22N6O3S?
Yes, CoreyChem provides custom synthesis services for C28H22N6O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.