C18H16N4OS
TL;DR: C18H16N4OS (CAS 896820-51-2) is a chemical compound with molecular formula C18H16N4OS and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-methyl-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)phenol
Also Known As: AO-022/43009478, 4-(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol, 4-(5-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol
| Molecular Formula | C18H16N4OS |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 3.89882 |
| Topological Polar Surface Area | 63.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.1045 |
| Heavy Atoms | 24 |
| Complexity | 1078.2333 |
Chemical Identifiers
| CAS Number | 896820-51-2 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C4=NC(=NN14)C5=CC=C(C=C5)O |
Product Overview
C18H16N4OS (CAS 896820-51-2), with molecular formula C18H16N4OS and molecular weight 336.10 g/mol. IUPAC: 4-(7-methyl-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)phenol.
Chemical Property Profile of C18H16N4OS
Property Insights of C18H16N4OS
The XLogP value of 3.89882 indicates that C18H16N4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.31 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H16N4OS. Following Lipinski's Rule of Five, C18H16N4OS 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
Frequently Asked Questions
What is the CAS number of C18H16N4OS?
The CAS number of C18H16N4OS is 896820-51-2.
What is the molecular formula of C18H16N4OS?
The molecular formula of C18H16N4OS is C18H16N4OS.
What is the molecular weight of C18H16N4OS?
The molecular weight of C18H16N4OS is 336.10 g/mol.
Where can I buy C18H16N4OS?
You can request a quote for C18H16N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H16N4OS?
Yes, KEHONG BIO provides custom synthesis services for C18H16N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.