F0576-0062
TL;DR: F0576-0062 (CAS 536981-07-4) is a chemical compound with molecular formula C26H29N5OS and molecular weight 459.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-9-[4-(diethylamino)phenyl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: F0576-0062, 2-(BENZYLSULFANYL)-9-[4-(DIETHYLAMINO)PHENYL]-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE, 2-(benzylthio)-9-(4-(diethylamino)phenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(benzylthio)-9-[4-(diethylamino)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-benzylsulfanyl-9-[4-(diethylamino)phenyl]-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C26H29N5OS |
|---|---|
| Molecular Weight | 459.21 g/mol |
| LogP | 5.4386 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.2093 |
| Heavy Atoms | 33 |
| Complexity | 1165.1527 |
Chemical Identifiers
| CAS Number | 536981-07-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=NC(=NN24)SCC5=CC=CC=C5 |
Product Overview
F0576-0062 (CAS 536981-07-4), with molecular formula C26H29N5OS and molecular weight 459.21 g/mol. IUPAC: 2-benzylsulfanyl-9-[4-(diethylamino)phenyl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of F0576-0062
Property Insights of F0576-0062
The XLogP value of 5.4386 indicates that F0576-0062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for F0576-0062. Following Lipinski's Rule of Five, F0576-0062 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0576-0062?
The CAS number of F0576-0062 is 536981-07-4.
What is the molecular formula of F0576-0062?
The molecular formula of F0576-0062 is C26H29N5OS.
What is the molecular weight of F0576-0062?
The molecular weight of F0576-0062 is 459.21 g/mol.
Where can I buy F0576-0062?
You can request a quote for F0576-0062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0576-0062?
Yes, KEHONG BIO provides custom synthesis services for F0576-0062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.