C21H15BrN2O5S2
TL;DR: C21H15BrN2O5S2 (CAS 1005041-87-1) is a chemical compound with molecular formula C21H15BrN2O5S2 and molecular weight 517.9606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-(4-bromophenyl)-8-(4-hydroxy-3-methoxyphenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: 6-(4-bromophenyl)-8-(4-hydroxy-3-methoxyphenyl)-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione, 6-(4-Bromo-phenyl)-8-(4-hydroxy-3-methoxy-phenyl)-3,4a,7a,8-tetrahydro-pyrrolo[3',4':5,6]thiopyrano[2, 3-d]thiazole-2,5,7-trione, 6-(4-bromophenyl)-8-(4-hydroxy-3-methoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione, C21H15BrN2O5S2
Technical Specifications
| Molecular Formula | C21H15BrN2O5S2 |
| Molecular Weight | 517.9606 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 517.9606 Da |
| Heavy Atoms | 31 |
| Complexity | 831.0 |
| SMILES | COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)SC5=C2SC(=O)N5)O |
| InChIKey | UBCBUPVTRIWICX-UHFFFAOYSA-N |
Chemical Property Profile of C21H15BrN2O5S2
Property Insights of C21H15BrN2O5S2
The XLogP value of 3.4 indicates that C21H15BrN2O5S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting C21H15BrN2O5S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H15BrN2O5S2 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C21H15BrN2O5S2?
The CAS number of C21H15BrN2O5S2 is 1005041-87-1.
What is the molecular formula of C21H15BrN2O5S2?
The molecular formula of C21H15BrN2O5S2 is C21H15BrN2O5S2.
What is the molecular weight of C21H15BrN2O5S2?
The molecular weight of C21H15BrN2O5S2 is 517.9606 g/mol.
Where can I buy C21H15BrN2O5S2?
You can request a quote for C21H15BrN2O5S2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H15BrN2O5S2?
Yes, CoreyChem provides custom synthesis services for C21H15BrN2O5S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.