C23H23BrN4OS2
TL;DR: C23H23BrN4OS2 (CAS 1010870-02-6) is a chemical compound with molecular formula C23H23BrN4OS2 and molecular weight 514.0497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-bromophenyl)methylsulfanyl]-5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 4-((4-bromobenzyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 4-[(4-bromobenzyl)sulfanyl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Technical Specifications
| Molecular Formula | C23H23BrN4OS2 |
| Molecular Weight | 514.0497 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.0497 Da |
| Heavy Atoms | 31 |
| Complexity | 635.0 |
| SMILES | CC1=CC(=NN1C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC5=CC=C(C=C5)Br)C |
| InChIKey | UYBSPUWCYVDUTJ-UHFFFAOYSA-N |
Chemical Property Profile of C23H23BrN4OS2
Property Insights of C23H23BrN4OS2
The XLogP value of 6.0 indicates that C23H23BrN4OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H23BrN4OS2. Following Lipinski's Rule of Five, C23H23BrN4OS2 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 C23H23BrN4OS2?
The CAS number of C23H23BrN4OS2 is 1010870-02-6.
What is the molecular formula of C23H23BrN4OS2?
The molecular formula of C23H23BrN4OS2 is C23H23BrN4OS2.
What is the molecular weight of C23H23BrN4OS2?
The molecular weight of C23H23BrN4OS2 is 514.0497 g/mol.
Where can I buy C23H23BrN4OS2?
You can request a quote for C23H23BrN4OS2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C23H23BrN4OS2?
Yes, CoreyChem provides custom synthesis services for C23H23BrN4OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.