5M-556S
TL;DR: 5M-556S (CAS 478049-27-3) is a chemical compound with molecular formula C19H17Cl3N4OS and molecular weight 454.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 5M-556S, 4-chloro-N-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide, 4-chloro-N-({5-[(3,4-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)benzenecarboxamide, 4-chloro-N-[(5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]benzamide, 4-chloro-N-[(5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
| Molecular Formula | C19H17Cl3N4OS |
|---|---|
| Molecular Weight | 454.02 g/mol |
| LogP | 5.4805 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.01886 |
| Heavy Atoms | 28 |
| Complexity | 975.8101 |
Chemical Identifiers
| CAS Number | 478049-27-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CNC(=O)C3=CC=C(C=C3)Cl |
Product Overview
5M-556S (CAS 478049-27-3), with molecular formula C19H17Cl3N4OS and molecular weight 454.02 g/mol. IUPAC: 4-chloro-N-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 5M-556S
Property Insights of 5M-556S
The XLogP value of 5.4805 indicates that 5M-556S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 5M-556S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5M-556S 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 5M-556S?
The CAS number of 5M-556S is 478049-27-3.
What is the molecular formula of 5M-556S?
The molecular formula of 5M-556S is C19H17Cl3N4OS.
What is the molecular weight of 5M-556S?
The molecular weight of 5M-556S is 454.02 g/mol.
Where can I buy 5M-556S?
You can request a quote for 5M-556S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5M-556S?
Yes, KEHONG BIO provides custom synthesis services for 5M-556S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.