C19H17Cl2N3OS
TL;DR: C19H17Cl2N3OS (CAS 862105-47-3) is a chemical compound with molecular formula C19H17Cl2N3OS and molecular weight 405.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole
Also Known As: 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole, 4-allyl-3-((2,6-dichlorobenzyl)thio)-5-(2-methoxyphenyl)-4H-1,2,4-triazole, 1-{5-[(2,6-dichlorophenyl)methylthio]-4-prop-2-enyl(1,2,4-triazol-3-yl)}-2-met hoxybenzene, 3-[(2,6-dichlorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
| Molecular Formula | C19H17Cl2N3OS |
|---|---|
| Molecular Weight | 405.05 g/mol |
| LogP | 5.7388 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.04694 |
| Heavy Atoms | 26 |
| Complexity | 906.64777 |
Chemical Identifiers
| CAS Number | 862105-47-3 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)Cl |
Product Overview
C19H17Cl2N3OS (CAS 862105-47-3), with molecular formula C19H17Cl2N3OS and molecular weight 405.05 g/mol. IUPAC: 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of C19H17Cl2N3OS
Property Insights of C19H17Cl2N3OS
The XLogP value of 5.7388 indicates that C19H17Cl2N3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, C19H17Cl2N3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H17Cl2N3OS has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C19H17Cl2N3OS?
The CAS number of C19H17Cl2N3OS is 862105-47-3.
What is the molecular formula of C19H17Cl2N3OS?
The molecular formula of C19H17Cl2N3OS is C19H17Cl2N3OS.
What is the molecular weight of C19H17Cl2N3OS?
The molecular weight of C19H17Cl2N3OS is 405.05 g/mol.
Where can I buy C19H17Cl2N3OS?
You can request a quote for C19H17Cl2N3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H17Cl2N3OS?
Yes, KEHONG BIO provides custom synthesis services for C19H17Cl2N3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.