C16H12N6OS
TL;DR: C16H12N6OS (CAS 1083333-98-5) is a chemical compound with molecular formula C16H12N6OS and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(furan-2-yl)-1H-pyrazol-3-yl]-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: BAS 14583776, A4089/0174314, 2-(5-(furan-2-yl)-1H-pyrazol-3-yl)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C16H12N6OS |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 3.60594 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.0793 |
| Heavy Atoms | 24 |
| Complexity | 1180.5292 |
Chemical Identifiers
| CAS Number | 1083333-98-5 |
|---|---|
| SMILES | CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=NNC(=C4)C5=CC=CO5)C |
Product Overview
C16H12N6OS (CAS 1083333-98-5), with molecular formula C16H12N6OS and molecular weight 336.08 g/mol. IUPAC: 4-[5-(furan-2-yl)-1H-pyrazol-3-yl]-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of C16H12N6OS
Property Insights of C16H12N6OS
The XLogP value of 3.60594 indicates that C16H12N6OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H12N6OS. Following Lipinski's Rule of Five, C16H12N6OS has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C16H12N6OS?
The CAS number of C16H12N6OS is 1083333-98-5.
What is the molecular formula of C16H12N6OS?
The molecular formula of C16H12N6OS is C16H12N6OS.
What is the molecular weight of C16H12N6OS?
The molecular weight of C16H12N6OS is 336.08 g/mol.
Where can I buy C16H12N6OS?
You can request a quote for C16H12N6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H12N6OS?
Yes, KEHONG BIO provides custom synthesis services for C16H12N6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.