F0576-0125
TL;DR: F0576-0125 (CAS 536982-72-6) is a chemical compound with molecular formula C23H21ClN4O2S and molecular weight 452.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-9-(3-methoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: F0576-0125, 2-((2-chlorobenzyl)thio)-9-(3-methoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-9-(3-METHOXYPHENYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE, 2-[(2-chlorophenyl)methylsulfanyl]-9-(3-methoxyphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 2-[(2-chlorophenyl)methylsulfanyl]-9-(3-methoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C23H21ClN4O2S |
|---|---|
| Molecular Weight | 452.11 g/mol |
| LogP | 5.2544 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.10736 |
| Heavy Atoms | 31 |
| Complexity | 1189.8245 |
Chemical Identifiers
| CAS Number | 536982-72-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2C3=C(CCCC3=O)NC4=NC(=NN24)SCC5=CC=CC=C5Cl |
Product Overview
F0576-0125 (CAS 536982-72-6), with molecular formula C23H21ClN4O2S and molecular weight 452.11 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-9-(3-methoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of F0576-0125
Property Insights of F0576-0125
The XLogP value of 5.2544 indicates that F0576-0125 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for F0576-0125. Following Lipinski's Rule of Five, F0576-0125 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 F0576-0125?
The CAS number of F0576-0125 is 536982-72-6.
What is the molecular formula of F0576-0125?
The molecular formula of F0576-0125 is C23H21ClN4O2S.
What is the molecular weight of F0576-0125?
The molecular weight of F0576-0125 is 452.11 g/mol.
Where can I buy F0576-0125?
You can request a quote for F0576-0125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0576-0125?
Yes, KEHONG BIO provides custom synthesis services for F0576-0125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.