7H-514S
TL;DR: 7H-514S (CAS 344273-75-2) is a chemical compound with molecular formula C19H18Cl2FN3S2 and molecular weight 441.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 7H-514S, 3-{[(2,6-dichlorobenzyl)sulfanyl]methyl}-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole, 3-({[(2,6-dichlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole, 3-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole
| Molecular Formula | C19H18Cl2FN3S2 |
|---|---|
| Molecular Weight | 441.03 g/mol |
| LogP | 6.4696 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.03033 |
| Heavy Atoms | 27 |
| Complexity | 880.22046 |
Chemical Identifiers
| CAS Number | 344273-75-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)F)CSCC3=C(C=CC=C3Cl)Cl |
Product Overview
7H-514S (CAS 344273-75-2), with molecular formula C19H18Cl2FN3S2 and molecular weight 441.03 g/mol. IUPAC: 3-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 7H-514S
Property Insights of 7H-514S
The XLogP value of 6.4696 indicates that 7H-514S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 7H-514S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-514S 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 7H-514S?
The CAS number of 7H-514S is 344273-75-2.
What is the molecular formula of 7H-514S?
The molecular formula of 7H-514S is C19H18Cl2FN3S2.
What is the molecular weight of 7H-514S?
The molecular weight of 7H-514S is 441.03 g/mol.
Where can I buy 7H-514S?
You can request a quote for 7H-514S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-514S?
Yes, KEHONG BIO provides custom synthesis services for 7H-514S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.