C18H19FN6OS
TL;DR: C18H19FN6OS (CAS 723316-51-6) is a chemical compound with molecular formula C18H19FN6OS and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
Also Known As: 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide, 2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide, 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)acetamide
| Molecular Formula | C18H19FN6OS |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 2.5948 |
| Topological Polar Surface Area | 89.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.1325 |
| Heavy Atoms | 27 |
| Complexity | 941.27985 |
Chemical Identifiers
| CAS Number | 723316-51-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3F |
Product Overview
C18H19FN6OS (CAS 723316-51-6), with molecular formula C18H19FN6OS and molecular weight 386.13 g/mol. IUPAC: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide.
Chemical Property Profile of C18H19FN6OS
Property Insights of C18H19FN6OS
The XLogP value of 2.5948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H19FN6OS. The TPSA of 89.07 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H19FN6OS. Following Lipinski's Rule of Five, C18H19FN6OS has 2 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 C18H19FN6OS?
The CAS number of C18H19FN6OS is 723316-51-6.
What is the molecular formula of C18H19FN6OS?
The molecular formula of C18H19FN6OS is C18H19FN6OS.
What is the molecular weight of C18H19FN6OS?
The molecular weight of C18H19FN6OS is 386.13 g/mol.
Where can I buy C18H19FN6OS?
You can request a quote for C18H19FN6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H19FN6OS?
Yes, KEHONG BIO provides custom synthesis services for C18H19FN6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.