N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea
TL;DR: N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea (CAS 692287-64-2) is a chemical compound with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyano-4,5-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
Also Known As: Bionet1_004921, MixCom3_000191, N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea, 3-(2-cyano-4,5-dimethoxyphenyl)-1-[(2-methoxyphenyl)methyl]thiourea, 1-(2-cyano-4,5-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
| Molecular Formula | C18H19N3O3S |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 3.07068 |
| Topological Polar Surface Area | 75.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.11472 |
| Heavy Atoms | 25 |
| Complexity | 802.6387 |
Chemical Identifiers
| CAS Number | 692287-64-2 |
|---|---|
| SMILES | COC1=CC=CC=C1CNC(=S)NC2=CC(=C(C=C2C#N)OC)OC |
Product Overview
N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea (CAS 692287-64-2), with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol. IUPAC: 1-(2-cyano-4,5-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]thiourea.
Chemical Property Profile of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea
Property Insights of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea
The XLogP value of 3.07068 indicates that N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.54 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea. Following Lipinski's Rule of Five, N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)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-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea?
The CAS number of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea is 692287-64-2.
What is the molecular formula of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea?
The molecular formula of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea is C18H19N3O3S.
What is the molecular weight of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea?
The molecular weight of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea is 357.11 g/mol.
Where can I buy N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea?
You can request a quote for N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)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-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyano-4,5-dimethoxyphenyl)-N'-(2-methoxybenzyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.