1-Benzyl-3-(4-ethoxyphenyl)thiourea
TL;DR: 1-Benzyl-3-(4-ethoxyphenyl)thiourea (CAS 31979-38-1) is a chemical compound with molecular formula C16H18N2OS and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(4-ethoxyphenyl)thiourea
Also Known As: 1-benzyl-3-(4-ethoxyphenyl)thiourea, Thiourea, N-(4-ethoxyphenyl)-N'-(phenylmethyl)-, N-BENZYL-N'-(4-ETHOXYPHENYL)THIOUREA, Thiourea, 1-benzyl-3-(4-ethoxyphenyl)-, (E)-benzylamino(p-ethoxyphenylimino)methanethiol
| Molecular Formula | C16H18N2OS |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.11398 |
| Heavy Atoms | 20 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 31979-38-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2 |
| InChIKey | OYAJFBUQMRKKIV-UHFFFAOYSA-N |
Product Overview
1-Benzyl-3-(4-ethoxyphenyl)thiourea (CAS 31979-38-1), with molecular formula C16H18N2OS and molecular weight 286.11 g/mol. IUPAC: 1-benzyl-3-(4-ethoxyphenyl)thiourea.
Chemical Property Profile of 1-Benzyl-3-(4-ethoxyphenyl)thiourea
Property Insights of 1-Benzyl-3-(4-ethoxyphenyl)thiourea
The XLogP value of 3.4 indicates that 1-Benzyl-3-(4-ethoxyphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-(4-ethoxyphenyl)thiourea. Following Lipinski's Rule of Five, 1-Benzyl-3-(4-ethoxyphenyl)thiourea 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-Benzyl-3-(4-ethoxyphenyl)thiourea?
The CAS number of 1-Benzyl-3-(4-ethoxyphenyl)thiourea is 31979-38-1.
What is the molecular formula of 1-Benzyl-3-(4-ethoxyphenyl)thiourea?
The molecular formula of 1-Benzyl-3-(4-ethoxyphenyl)thiourea is C16H18N2OS.
What is the molecular weight of 1-Benzyl-3-(4-ethoxyphenyl)thiourea?
The molecular weight of 1-Benzyl-3-(4-ethoxyphenyl)thiourea is 286.11 g/mol.
Where can I buy 1-Benzyl-3-(4-ethoxyphenyl)thiourea?
You can request a quote for 1-Benzyl-3-(4-ethoxyphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-(4-ethoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(4-ethoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.