C23H22BrN3O3S
TL;DR: C23H22BrN3O3S (CAS 840497-64-5) is a chemical compound with molecular formula C23H22BrN3O3S and molecular weight 499.05652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-2-(2-bromophenyl)-5-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-2-(2-bromophenyl)-5-[3-methoxy-4-(3-methylbutoxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (Z)-2-(2-bromophenyl)-5-(4-(isopentyloxy)-3-methoxybenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-2-(2-bromophenyl)-5-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Technical Specifications
| Molecular Formula | C23H22BrN3O3S |
| Molecular Weight | 499.05652 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 91.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.05652 Da |
| Heavy Atoms | 31 |
| Complexity | 664.0 |
| SMILES | CC(C)CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=CC=C4Br)S2)OC |
| InChIKey | YPBHPEIUKLFPCP-MOSHPQCFSA-N |
Chemical Property Profile of C23H22BrN3O3S
Property Insights of C23H22BrN3O3S
The XLogP value of 6.6 indicates that C23H22BrN3O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H22BrN3O3S. Following Lipinski's Rule of Five, C23H22BrN3O3S has 0 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 C23H22BrN3O3S?
The CAS number of C23H22BrN3O3S is 840497-64-5.
What is the molecular formula of C23H22BrN3O3S?
The molecular formula of C23H22BrN3O3S is C23H22BrN3O3S.
What is the molecular weight of C23H22BrN3O3S?
The molecular weight of C23H22BrN3O3S is 499.05652 g/mol.
Where can I buy C23H22BrN3O3S?
You can request a quote for C23H22BrN3O3S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C23H22BrN3O3S?
Yes, CoreyChem provides custom synthesis services for C23H22BrN3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.