ChemDiv3_006224
TL;DR: ChemDiv3_006224 (CAS 498569-16-7) is a chemical compound with molecular formula C21H22N4O2S2 and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: ChemDiv3_006224, IDI1_024134, 4-ethyl-1-((4-methoxybenzyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 4-ethyl-1-[(4-methoxybenzyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C21H22N4O2S2 |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 4.3053 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.1184 |
| Heavy Atoms | 29 |
| Complexity | 1254.1384 |
Chemical Identifiers
| CAS Number | 498569-16-7 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N3C1=NN=C3SCC4=CC=C(C=C4)OC)SC5=C2CCCC5 |
Product Overview
ChemDiv3_006224 (CAS 498569-16-7), with molecular formula C21H22N4O2S2 and molecular weight 426.12 g/mol. IUPAC: 7-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of ChemDiv3_006224
Property Insights of ChemDiv3_006224
The XLogP value of 4.3053 indicates that ChemDiv3_006224 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006224. Following Lipinski's Rule of Five, ChemDiv3_006224 has 0 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 ChemDiv3_006224?
The CAS number of ChemDiv3_006224 is 498569-16-7.
What is the molecular formula of ChemDiv3_006224?
The molecular formula of ChemDiv3_006224 is C21H22N4O2S2.
What is the molecular weight of ChemDiv3_006224?
The molecular weight of ChemDiv3_006224 is 426.12 g/mol.
Where can I buy ChemDiv3_006224?
You can request a quote for ChemDiv3_006224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006224?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.