1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea
TL;DR: 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea (CAS 384793-66-2) is a chemical compound with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
Also Known As: BAS 02819187, 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea, 3,4,5-trimethoxy-N-((4-(pyridin-4-ylmethyl)phenyl)carbamothioyl)benzamide, 3,4,5-trimethoxy-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide, 3,4,5-trimethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
| Molecular Formula | C23H23N3O4S |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 3.825 |
| Topological Polar Surface Area | 81.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.14093 |
| Heavy Atoms | 31 |
| Complexity | 1031.1716 |
Chemical Identifiers
| CAS Number | 384793-66-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3 |
Product Overview
1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea (CAS 384793-66-2), with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol. IUPAC: 3,4,5-trimethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea
Property Insights of 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea
The XLogP value of 3.825 indicates that 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea. Following Lipinski's Rule of Five, 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea has 2 hydrogen bond donor(s) and 6 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-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea?
The CAS number of 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea is 384793-66-2.
What is the molecular formula of 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea?
The molecular formula of 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea is C23H23N3O4S.
What is the molecular weight of 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea?
The molecular weight of 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea is 437.14 g/mol.
Where can I buy 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea?
You can request a quote for 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-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-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Pyridin-4-ylmethyl-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.