C16H13ClN8OS2
TL;DR: C16H13ClN8OS2 (CAS 1039009-89-6) is a chemical compound with molecular formula C16H13ClN8OS2 and molecular weight 432.03424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide, 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide, 2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(1,3- thiazol-2-yl)acetamide, C16H13ClN8OS2
Technical Specifications
| Molecular Formula | C16H13ClN8OS2 |
| Molecular Weight | 432.03424 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.03424 Da |
| Heavy Atoms | 28 |
| Complexity | 541.0 |
| SMILES | C1=CC(=CC=C1C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=NC=CS4)Cl |
| InChIKey | HNBFGKSCBGAINQ-UHFFFAOYSA-N |
Chemical Property Profile of C16H13ClN8OS2
Property Insights of C16H13ClN8OS2
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H13ClN8OS2. The TPSA of 181.0 Ų indicates high polarity, suggesting C16H13ClN8OS2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C16H13ClN8OS2 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C16H13ClN8OS2?
The CAS number of C16H13ClN8OS2 is 1039009-89-6.
What is the molecular formula of C16H13ClN8OS2?
The molecular formula of C16H13ClN8OS2 is C16H13ClN8OS2.
What is the molecular weight of C16H13ClN8OS2?
The molecular weight of C16H13ClN8OS2 is 432.03424 g/mol.
Where can I buy C16H13ClN8OS2?
You can request a quote for C16H13ClN8OS2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H13ClN8OS2?
Yes, CoreyChem provides custom synthesis services for C16H13ClN8OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.