1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea
TL;DR: 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea (CAS 454665-68-0) is a chemical compound with molecular formula C16H11Cl2N3S and molecular weight 347.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)-3-isoquinolin-5-ylthiourea
Also Known As: 1-(2,4-dichlorophenyl)-3-isoquinolin-5-ylthiourea, 1-(2,4-Dichlorophenyl)-3-(isoquinolin-5-yl)thiourea, (Z)-N-(2,4-dichlorophenyl)-N'-(isoquinolin-5-yl)carbamimidothioic acid
| Molecular Formula | C16H11Cl2N3S |
|---|---|
| Molecular Weight | 347.01 g/mol |
| LogP | 5.3505 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.00507 |
| Heavy Atoms | 22 |
| Complexity | 846.4186 |
Chemical Identifiers
| CAS Number | 454665-68-0 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)NC(=S)NC3=C(C=C(C=C3)Cl)Cl |
Product Overview
1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea (CAS 454665-68-0), with molecular formula C16H11Cl2N3S and molecular weight 347.01 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-3-isoquinolin-5-ylthiourea.
Chemical Property Profile of 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea
Property Insights of 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea
The XLogP value of 5.3505 indicates that 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.95 Ų, 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea?
The CAS number of 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea is 454665-68-0.
What is the molecular formula of 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea?
The molecular formula of 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea is C16H11Cl2N3S.
What is the molecular weight of 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea?
The molecular weight of 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea is 347.01 g/mol.
Where can I buy 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea?
You can request a quote for 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dichlorophenyl)-3-isoquinolin-5-ylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.