1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea
TL;DR: 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea (CAS 879575-82-3) is a chemical compound with molecular formula C14H14ClN3O2S and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea
Also Known As: 1-(4-chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea, N-(4-chloro-2,5-dimethoxyphenyl)-N'-pyridin-3-ylthiourea, 1-(4-chloro-2,5-dimethoxyphenyl)-3-(pyridin-3-yl)thiourea, [(4-chloro-2,5-dimethoxyphenyl)amino](3-pyridylamino)methane-1-thione
| Molecular Formula | C14H14ClN3O2S |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 3.5611 |
| Topological Polar Surface Area | 55.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.04953 |
| Heavy Atoms | 21 |
| Complexity | 637.6163 |
Chemical Identifiers
| CAS Number | 879575-82-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=S)NC2=CN=CC=C2)OC)Cl |
Product Overview
1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea (CAS 879575-82-3), with molecular formula C14H14ClN3O2S and molecular weight 323.05 g/mol. IUPAC: 1-(4-chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea.
Chemical Property Profile of 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea
Property Insights of 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea
The XLogP value of 3.5611 indicates that 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.41 Ų, 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea 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 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea?
The CAS number of 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea is 879575-82-3.
What is the molecular formula of 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea?
The molecular formula of 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea is C14H14ClN3O2S.
What is the molecular weight of 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea?
The molecular weight of 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea is 323.05 g/mol.
Where can I buy 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea?
You can request a quote for 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-2,5-dimethoxyphenyl)-3-pyridin-3-ylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.