C18H14Cl3N3S
TL;DR: C18H14Cl3N3S (CAS 848995-62-0) is a chemical compound with molecular formula C18H14Cl3N3S and molecular weight 409.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
Also Known As: 3-(3-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole, 3-[(2,6-dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-tria zole, 4-allyl-3-(3-chlorophenyl)-5-((2,6-dichlorobenzyl)thio)-4H-1,2,4-triazole, 3-(3-chlorophenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-(3-chlorophenyl)-5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
| Molecular Formula | C18H14Cl3N3S |
|---|---|
| Molecular Weight | 409.00 g/mol |
| LogP | 6.3836 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.9974 |
| Heavy Atoms | 25 |
| Complexity | 888.082 |
Chemical Identifiers
| CAS Number | 848995-62-0 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)C3=CC(=CC=C3)Cl |
Product Overview
C18H14Cl3N3S (CAS 848995-62-0), with molecular formula C18H14Cl3N3S and molecular weight 409.00 g/mol. IUPAC: 3-(3-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of C18H14Cl3N3S
Property Insights of C18H14Cl3N3S
The XLogP value of 6.3836 indicates that C18H14Cl3N3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, C18H14Cl3N3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H14Cl3N3S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H14Cl3N3S?
The CAS number of C18H14Cl3N3S is 848995-62-0.
What is the molecular formula of C18H14Cl3N3S?
The molecular formula of C18H14Cl3N3S is C18H14Cl3N3S.
What is the molecular weight of C18H14Cl3N3S?
The molecular weight of C18H14Cl3N3S is 409.00 g/mol.
Where can I buy C18H14Cl3N3S?
You can request a quote for C18H14Cl3N3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H14Cl3N3S?
Yes, KEHONG BIO provides custom synthesis services for C18H14Cl3N3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.