C15H12N6OS
TL;DR: C15H12N6OS (CAS 887672-86-8) is a chemical compound with molecular formula C15H12N6OS and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)-1H-pyridazin-6-one
Also Known As: BAS 13776514, A4088/0174272, 6-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)pyridazin-3(2H)-one, 6-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)pyridazin-3(2H)-one
| Molecular Formula | C15H12N6OS |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 1.9681 |
| Topological Polar Surface Area | 88.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.0793 |
| Heavy Atoms | 23 |
| Complexity | 1088.0022 |
Chemical Identifiers
| CAS Number | 887672-86-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=NNC(=O)C=C5 |
Product Overview
C15H12N6OS (CAS 887672-86-8), with molecular formula C15H12N6OS and molecular weight 324.08 g/mol. IUPAC: 3-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)-1H-pyridazin-6-one.
Chemical Property Profile of C15H12N6OS
Property Insights of C15H12N6OS
The XLogP value of 1.9681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H12N6OS. The TPSA of 88.83 Ų falls within the moderate polarity range, balancing permeability and solubility for C15H12N6OS. Following Lipinski's Rule of Five, C15H12N6OS 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 C15H12N6OS?
The CAS number of C15H12N6OS is 887672-86-8.
What is the molecular formula of C15H12N6OS?
The molecular formula of C15H12N6OS is C15H12N6OS.
What is the molecular weight of C15H12N6OS?
The molecular weight of C15H12N6OS is 324.08 g/mol.
Where can I buy C15H12N6OS?
You can request a quote for C15H12N6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H12N6OS?
Yes, KEHONG BIO provides custom synthesis services for C15H12N6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.