N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea
TL;DR: N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea (CAS 516458-98-3) is a chemical compound with molecular formula C13H20N2O4S and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethoxyethyl)-3-(3,5-dimethoxyphenyl)thiourea
Also Known As: 1-(2,2-dimethoxyethyl)-3-(3,5-dimethoxyphenyl)thiourea, N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea, AJ-292/42034946, [(2,2-dimethoxyethyl)amino][(3,5-dimethoxyphenyl)amino]methane-1-thione
| Molecular Formula | C13H20N2O4S |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 1.6091 |
| Topological Polar Surface Area | 60.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.11438 |
| Heavy Atoms | 20 |
| Complexity | 416.12936 |
Chemical Identifiers
| CAS Number | 516458-98-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)NC(=S)NCC(OC)OC)OC |
Product Overview
N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea (CAS 516458-98-3), with molecular formula C13H20N2O4S and molecular weight 300.11 g/mol. IUPAC: 1-(2,2-dimethoxyethyl)-3-(3,5-dimethoxyphenyl)thiourea.
Chemical Property Profile of N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea
Property Insights of N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea
The XLogP value of 1.6091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea. The TPSA of 60.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea. Following Lipinski's Rule of Five, N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea has 2 hydrogen bond donor(s) and 5 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-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea?
The CAS number of N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea is 516458-98-3.
What is the molecular formula of N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea?
The molecular formula of N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea is C13H20N2O4S.
What is the molecular weight of N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea?
The molecular weight of N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea is 300.11 g/mol.
Where can I buy N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea?
You can request a quote for N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-dimethoxyethyl)-N'-(3,5-dimethoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.