![N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea structure](/static/products/4284/428449-21-2.webp)
N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea
TL;DR: N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea (CAS 428449-21-2) is a chemical compound with molecular formula C21H27N3O4S and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(diethylamino)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
Also Known As: BAS 02819328, N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea, N-[[4-(diethylamino)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide, 1-(4-Diethylamino-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea, N-({[4-(diethylamino)phenyl]amino}thioxomethyl)(3,4,5-trimethoxyphenyl)carboxa mide
| Molecular Formula | C21H27N3O4S |
|---|---|
| Molecular Weight | 417.17 g/mol |
| LogP | 3.6854 |
| Topological Polar Surface Area | 72.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.17224 |
| Heavy Atoms | 29 |
| Complexity | 826.4999 |
Chemical Identifiers
| CAS Number | 428449-21-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea (CAS 428449-21-2), with molecular formula C21H27N3O4S and molecular weight 417.17 g/mol. IUPAC: N-[[4-(diethylamino)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea
Property Insights of N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea
The XLogP value of 3.6854 indicates that N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea. Following Lipinski's Rule of Five, N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)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 N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea?
The CAS number of N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea is 428449-21-2.
What is the molecular formula of N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea?
The molecular formula of N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea is C21H27N3O4S.
What is the molecular weight of N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea?
The molecular weight of N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea is 417.17 g/mol.
Where can I buy N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea?
You can request a quote for N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(diethylamino)phenyl]-N'-(3,4,5-trimethoxybenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.