Antibacterial agent 121
TL;DR: Antibacterial agent 121 (CAS 474099-18-8) is a chemical compound with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-phenylethyl)-3-(3,4,5-trimethoxyphenyl)thiourea
Also Known As: Antibacterial agent 121, 1-phenethyl-3-(3,4,5-trimethoxyphenyl)thiourea
| Molecular Formula | C18H22N2O3S |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 3.2415 |
| Topological Polar Surface Area | 51.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.1351 |
| Heavy Atoms | 24 |
| Complexity | 652.2141 |
Chemical Identifiers
| CAS Number | 474099-18-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=S)NCCC2=CC=CC=C2 |
Product Overview
Antibacterial agent 121 (CAS 474099-18-8), with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol. IUPAC: 1-(2-phenylethyl)-3-(3,4,5-trimethoxyphenyl)thiourea.
Chemical Property Profile of Antibacterial agent 121
Property Insights of Antibacterial agent 121
The XLogP value of 3.2415 indicates that Antibacterial agent 121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.75 Ų, Antibacterial agent 121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Antibacterial agent 121 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antibacterial agent 121?
The CAS number of Antibacterial agent 121 is 474099-18-8.
What is the molecular formula of Antibacterial agent 121?
The molecular formula of Antibacterial agent 121 is C18H22N2O3S.
What is the molecular weight of Antibacterial agent 121?
The molecular weight of Antibacterial agent 121 is 346.14 g/mol.
Where can I buy Antibacterial agent 121?
You can request a quote for Antibacterial agent 121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibacterial agent 121?
Yes, KEHONG BIO provides custom synthesis services for Antibacterial agent 121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.