F3411-6675
TL;DR: F3411-6675 (CAS 730968-00-0) is a chemical compound with molecular formula C19H15N5OS and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetonitrile
Also Known As: F3411-6675, 2-({4-[(4-methylphenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile, 2-[[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetonitrile, {[4-(4-methylbenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio}acetonitrile, 2-((4-(4-methylbenzyl)-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)acetonitrile
| Molecular Formula | C19H15N5OS |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 3.0166 |
| Topological Polar Surface Area | 75.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.09973 |
| Heavy Atoms | 26 |
| Complexity | 1201.0258 |
Chemical Identifiers
| CAS Number | 730968-00-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC#N |
Product Overview
F3411-6675 (CAS 730968-00-0), with molecular formula C19H15N5OS and molecular weight 361.10 g/mol. IUPAC: 2-[[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetonitrile.
Chemical Property Profile of F3411-6675
Property Insights of F3411-6675
The XLogP value of 3.0166 indicates that F3411-6675 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.98 Ų falls within the moderate polarity range, balancing permeability and solubility for F3411-6675. Following Lipinski's Rule of Five, F3411-6675 has 0 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 F3411-6675?
The CAS number of F3411-6675 is 730968-00-0.
What is the molecular formula of F3411-6675?
The molecular formula of F3411-6675 is C19H15N5OS.
What is the molecular weight of F3411-6675?
The molecular weight of F3411-6675 is 361.10 g/mol.
Where can I buy F3411-6675?
You can request a quote for F3411-6675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3411-6675?
Yes, KEHONG BIO provides custom synthesis services for F3411-6675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.