ChemDiv2_001179
TL;DR: ChemDiv2_001179 (CAS 1005106-78-4) is a chemical compound with molecular formula C21H15BrN2O4S2 and molecular weight 501.96567 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-(4-bromophenyl)-8-(4-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-methoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione, 5-(4-bromophenyl)-8-(4-methoxyphenyl)-2,10-dithia-5,12-diazatricyclo[7.3.0.0<3 ,7>]dodec-1(9)-ene-4,6,11-trione, 6-(4-bromophenyl)-8-(4-methoxyphenyl)-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione
Technical Specifications
| Molecular Formula | C21H15BrN2O4S2 |
| Molecular Weight | 501.96567 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 501.96567 Da |
| Heavy Atoms | 30 |
| Complexity | 790.0 |
| SMILES | COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)SC5=C2SC(=O)N5 |
| InChIKey | VPGDSJLDEJZGNM-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv2_001179
Property Insights of ChemDiv2_001179
The XLogP value of 3.8 indicates that ChemDiv2_001179 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001179. Following Lipinski's Rule of Five, ChemDiv2_001179 has 1 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 ChemDiv2_001179?
The CAS number of ChemDiv2_001179 is 1005106-78-4.
What is the molecular formula of ChemDiv2_001179?
The molecular formula of ChemDiv2_001179 is C21H15BrN2O4S2.
What is the molecular weight of ChemDiv2_001179?
The molecular weight of ChemDiv2_001179 is 501.96567 g/mol.
Where can I buy ChemDiv2_001179?
You can request a quote for ChemDiv2_001179 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv2_001179?
Yes, CoreyChem provides custom synthesis services for ChemDiv2_001179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.