RefChem:549305
TL;DR: RefChem:549305 (CAS 145383-62-6) is a chemical compound with molecular formula C7H2ClN3S2 and molecular weight 226.93787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-chloro-3,7-dithia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene
Also Known As: 9-chloro-3,7-dithia-5,10,12-triazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),4,8,10-pentaene, 5-chloro[1,3]thiazolo[5',4':4,5]thieno[3,2-d]pyrimidine, 9-chloro-3,7-dithia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene, 839-188-1, 9-Chloro-3,7-dithia-5,10,12-triazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),4,8,10-pentaene
Technical Specifications
| Molecular Formula | C7H2ClN3S2 |
| Molecular Weight | 226.93787 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.93787 Da |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
| SMILES | C1=NC2=C(C(=N1)Cl)SC3=C2SC=N3 |
| InChIKey | SASZSVYGPZFBQV-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:549305
Property Insights of RefChem:549305
The XLogP value of 3.1 indicates that RefChem:549305 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:549305. Following Lipinski's Rule of Five, RefChem:549305 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:549305?
The CAS number of RefChem:549305 is 145383-62-6.
What is the molecular formula of RefChem:549305?
The molecular formula of RefChem:549305 is C7H2ClN3S2.
What is the molecular weight of RefChem:549305?
The molecular weight of RefChem:549305 is 226.93787 g/mol.
Where can I buy RefChem:549305?
You can request a quote for RefChem:549305 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:549305?
Yes, CoreyChem provides custom synthesis services for RefChem:549305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.