5M-553S
TL;DR: 5M-553S (CAS 338962-52-0) is a chemical compound with molecular formula C23H27ClN4OS and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide
Also Known As: 5M-553S, N-[(5-{[4-(tert-butyl)benzyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-chlorobenzenecarboxamide, N-[(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-chlorobenzamide, N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide, 4-chloro-N-[[4-ethyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C23H27ClN4OS |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 5.4712 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.15942 |
| Heavy Atoms | 30 |
| Complexity | 991.5377 |
Chemical Identifiers
| CAS Number | 338962-52-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)CNC(=O)C3=CC=C(C=C3)Cl |
Product Overview
5M-553S (CAS 338962-52-0), with molecular formula C23H27ClN4OS and molecular weight 442.16 g/mol. IUPAC: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide.
Chemical Property Profile of 5M-553S
Property Insights of 5M-553S
The XLogP value of 5.4712 indicates that 5M-553S 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-553S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5M-553S 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-553S?
The CAS number of 5M-553S is 338962-52-0.
What is the molecular formula of 5M-553S?
The molecular formula of 5M-553S is C23H27ClN4OS.
What is the molecular weight of 5M-553S?
The molecular weight of 5M-553S is 442.16 g/mol.
Where can I buy 5M-553S?
You can request a quote for 5M-553S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5M-553S?
Yes, KEHONG BIO provides custom synthesis services for 5M-553S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.