![N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide structure](/static/products/6944/694488-98-7.webp)
N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide
TL;DR: N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide (CAS 694488-98-7) is a chemical compound with molecular formula C19H18Cl2N4OS and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide
Also Known As: N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide, N-(4-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)propanamide, N-[4-(5-{[(2,6-DICHLOROPHENYL)METHYL]SULFANYL}-4-METHYL-1,2,4-TRIAZOL-3-YL)PHENYL]PROPANAMIDE
| Molecular Formula | C19H18Cl2N4OS |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 5.4297 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.05783 |
| Heavy Atoms | 27 |
| Complexity | 936.59357 |
Chemical Identifiers
| CAS Number | 694488-98-7 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(C=CC=C3Cl)Cl |
Product Overview
N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide (CAS 694488-98-7), with molecular formula C19H18Cl2N4OS and molecular weight 420.06 g/mol. IUPAC: N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide.
Chemical Property Profile of N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide
Property Insights of N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide
The XLogP value of 5.4297 indicates that N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide has 1 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 N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide?
The CAS number of N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide is 694488-98-7.
What is the molecular formula of N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide?
The molecular formula of N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide is C19H18Cl2N4OS.
What is the molecular weight of N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide?
The molecular weight of N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide is 420.06 g/mol.
Where can I buy N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide?
You can request a quote for N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.