1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea
TL;DR: 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea (CAS 354769-98-5) 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-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
Also Known As: 1-(4-methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea, 1-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea, [(4-methylphenyl)amino]{[(3,4,5-trimethoxyphenyl)methyl]amino}methane-1-thione
| Molecular Formula | C18H22N2O3S |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 3.50742 |
| Topological Polar Surface Area | 51.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.1351 |
| Heavy Atoms | 24 |
| Complexity | 676.9052 |
Chemical Identifiers
| CAS Number | 354769-98-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea (CAS 354769-98-5), with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol. IUPAC: 1-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea.
Chemical Property Profile of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea
Property Insights of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea
The XLogP value of 3.50742 indicates that 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.75 Ų, 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea 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 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea?
The CAS number of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea is 354769-98-5.
What is the molecular formula of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea?
The molecular formula of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea is C18H22N2O3S.
What is the molecular weight of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea?
The molecular weight of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea is 346.14 g/mol.
Where can I buy 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea?
You can request a quote for 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.