N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea
TL;DR: N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea (CAS 692287-53-9) is a chemical compound with molecular formula C17H15Cl2N3O2S and molecular weight 395.03 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-[(3,4-dichlorophenyl)methyl]thiourea
Also Known As: Bionet1_004900, MixCom3_000095, N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea, 3-(2-cyano-4,5-dimethoxyphenyl)-1-[(3,4-dichlorophenyl)methyl]thiourea, 6T-0288
| Molecular Formula | C17H15Cl2N3O2S |
|---|---|
| Molecular Weight | 395.03 g/mol |
| LogP | 4.36888 |
| Topological Polar Surface Area | 66.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.0262 |
| Heavy Atoms | 25 |
| Complexity | 837.37317 |
Chemical Identifiers
| CAS Number | 692287-53-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C#N)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl)OC |
Product Overview
N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea (CAS 692287-53-9), with molecular formula C17H15Cl2N3O2S and molecular weight 395.03 g/mol. IUPAC: 1-(2-cyano-4,5-dimethoxyphenyl)-3-[(3,4-dichlorophenyl)methyl]thiourea.
Chemical Property Profile of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea
Property Insights of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea
The XLogP value of 4.36888 indicates that N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea. Following Lipinski's Rule of Five, N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)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-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea?
The CAS number of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea is 692287-53-9.
What is the molecular formula of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea?
The molecular formula of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea is C17H15Cl2N3O2S.
What is the molecular weight of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea?
The molecular weight of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea is 395.03 g/mol.
Where can I buy N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea?
You can request a quote for N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)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'-(3,4-dichlorobenzyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyano-4,5-dimethoxyphenyl)-N'-(3,4-dichlorobenzyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.