C19H19Cl2N3OS2
TL;DR: C19H19Cl2N3OS2 (CAS 585551-08-2) is a chemical compound with molecular formula C19H19Cl2N3OS2 and molecular weight 439.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-((2,6-dichlorobenzyl)thio)-3-ethyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(2,6-dichlorobenzyl)sulfanyl]-3-ethyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(2,6-dichlorophenyl)methylsulfanyl]-3-ethyl-7-methyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C19H19Cl2N3OS2 |
|---|---|
| Molecular Weight | 439.03 g/mol |
| LogP | 5.0649 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.03467 |
| Heavy Atoms | 27 |
| Complexity | 1056.7325 |
Chemical Identifiers
| CAS Number | 585551-08-2 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC3=C(C=CC=C3Cl)Cl)SC4=C2CCN(C4)C |
Product Overview
C19H19Cl2N3OS2 (CAS 585551-08-2), with molecular formula C19H19Cl2N3OS2 and molecular weight 439.03 g/mol. IUPAC: 5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of C19H19Cl2N3OS2
Property Insights of C19H19Cl2N3OS2
The XLogP value of 5.0649 indicates that C19H19Cl2N3OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, C19H19Cl2N3OS2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H19Cl2N3OS2 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C19H19Cl2N3OS2?
The CAS number of C19H19Cl2N3OS2 is 585551-08-2.
What is the molecular formula of C19H19Cl2N3OS2?
The molecular formula of C19H19Cl2N3OS2 is C19H19Cl2N3OS2.
What is the molecular weight of C19H19Cl2N3OS2?
The molecular weight of C19H19Cl2N3OS2 is 439.03 g/mol.
Where can I buy C19H19Cl2N3OS2?
You can request a quote for C19H19Cl2N3OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H19Cl2N3OS2?
Yes, KEHONG BIO provides custom synthesis services for C19H19Cl2N3OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.