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1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea
TL;DR: 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea (CAS 42002-62-0) is a chemical compound with molecular formula C16H17ClN2OS and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea
Also Known As: 1-(3-Chloro-4-ethoxy-benzyl)-3-phenyl-thiourea, 1-[(3-chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea, BAS 00327872, 1-(3-chloro-4-ethoxybenzyl)-3-phenylthiourea, 1-(3-Chloro-4-ethoxybenzyl)-3-phenyl-2-thiourea
| Molecular Formula | C16H17ClN2OS |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 4.2253 |
| Topological Polar Surface Area | 33.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.075 |
| Heavy Atoms | 21 |
| Complexity | 604.4809 |
Chemical Identifiers
| CAS Number | 42002-62-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC=C2)Cl |
Product Overview
1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea (CAS 42002-62-0), with molecular formula C16H17ClN2OS and molecular weight 320.07 g/mol. IUPAC: 1-[(3-chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea.
Chemical Property Profile of 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea
Property Insights of 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea
The XLogP value of 4.2253 indicates that 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.29 Ų, 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea has 2 hydrogen bond donor(s) and 2 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-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea?
The CAS number of 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea is 42002-62-0.
What is the molecular formula of 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea?
The molecular formula of 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea is C16H17ClN2OS.
What is the molecular weight of 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea?
The molecular weight of 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea is 320.07 g/mol.
Where can I buy 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea?
You can request a quote for 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Chloro-4-ethoxyphenyl)methyl]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.