C20H22ClN5OS
TL;DR: C20H22ClN5OS (CAS 848732-49-0) is a chemical compound with molecular formula C20H22ClN5OS and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-11-methyl-5-piperazin-1-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 3-(3-chlorophenyl)-7-methyl-2-(piperazin-1-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C20H22ClN5OS |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 2.4981 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.12335 |
| Heavy Atoms | 28 |
| Complexity | 1101.9045 |
Chemical Identifiers
| CAS Number | 848732-49-0 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)N4CCNCC4)C5=CC(=CC=C5)Cl |
Product Overview
C20H22ClN5OS (CAS 848732-49-0), with molecular formula C20H22ClN5OS and molecular weight 415.12 g/mol. IUPAC: 4-(3-chlorophenyl)-11-methyl-5-piperazin-1-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of C20H22ClN5OS
Property Insights of C20H22ClN5OS
The XLogP value of 2.4981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H22ClN5OS. With a topological polar surface area (TPSA) of 53.4 Ų, C20H22ClN5OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H22ClN5OS has 1 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 C20H22ClN5OS?
The CAS number of C20H22ClN5OS is 848732-49-0.
What is the molecular formula of C20H22ClN5OS?
The molecular formula of C20H22ClN5OS is C20H22ClN5OS.
What is the molecular weight of C20H22ClN5OS?
The molecular weight of C20H22ClN5OS is 415.12 g/mol.
Where can I buy C20H22ClN5OS?
You can request a quote for C20H22ClN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22ClN5OS?
Yes, KEHONG BIO provides custom synthesis services for C20H22ClN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.