C16H14N6S
TL;DR: C16H14N6S (CAS 1027328-85-3) is a chemical compound with molecular formula C16H14N6S and molecular weight 322.10007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-cyclopropyl-1H-pyrazol-3-yl)-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
Also Known As: 2-(5-cyclopropyl-1H-pyrazol-3-yl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Technical Specifications
| Molecular Formula | C16H14N6S |
| Molecular Weight | 322.10007 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.10007 Da |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
| SMILES | C1CC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=NNC(=C5)C6CC6 |
| InChIKey | QSIGWXXAPMQDDN-UHFFFAOYSA-N |
Chemical Property Profile of C16H14N6S
Property Insights of C16H14N6S
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H14N6S. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H14N6S. Following Lipinski's Rule of Five, C16H14N6S has 1 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 C16H14N6S?
The CAS number of C16H14N6S is 1027328-85-3.
What is the molecular formula of C16H14N6S?
The molecular formula of C16H14N6S is C16H14N6S.
What is the molecular weight of C16H14N6S?
The molecular weight of C16H14N6S is 322.10007 g/mol.
Where can I buy C16H14N6S?
You can request a quote for C16H14N6S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H14N6S?
Yes, CoreyChem provides custom synthesis services for C16H14N6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.