N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea
TL;DR: N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea (CAS 445419-66-9) is a chemical compound with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,3-dimethylphenyl)carbamothioyl]-3,4-dimethoxybenzamide
Also Known As: N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea, N-[(2,3-dimethylphenyl)carbamothioyl]-3,4-dimethoxybenzamide, AN-465/41167404
| Molecular Formula | C18H20N2O3S |
|---|---|
| Molecular Weight | 344.12 g/mol |
| LogP | 3.44744 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.11948 |
| Heavy Atoms | 24 |
| Complexity | 774.8544 |
Chemical Identifiers
| CAS Number | 445419-66-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC)C |
Product Overview
N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea (CAS 445419-66-9), with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol. IUPAC: N-[(2,3-dimethylphenyl)carbamothioyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea
Property Insights of N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea
The XLogP value of 3.44744 indicates that N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)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 N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea?
The CAS number of N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea is 445419-66-9.
What is the molecular formula of N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea?
The molecular formula of N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea is C18H20N2O3S.
What is the molecular weight of N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea?
The molecular weight of N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea is 344.12 g/mol.
Where can I buy N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea?
You can request a quote for N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxybenzoyl)-N'-(2,3-dimethylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.