4-(3-Phenyl-thioureido)-benzoic acid ethyl ester
TL;DR: 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester (CAS 1158-23-2) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(phenylcarbamothioylamino)benzoate
Also Known As: Ethyl 4-(3-phenylthioureido)benzoate, 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester, ethyl 4-(phenylcarbamothioylamino)benzoate, Ethyl4-(3-phenylthioureido)benzoate, ethyl 4-[(phenylcarbamothioyl)amino]benzoate
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 3.6722 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 611.9339 |
Chemical Identifiers
| CAS Number | 1158-23-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2 |
Product Overview
4-(3-Phenyl-thioureido)-benzoic acid ethyl ester (CAS 1158-23-2), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: ethyl 4-(phenylcarbamothioylamino)benzoate.
Chemical Property Profile of 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester
Property Insights of 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester
The XLogP value of 3.6722 indicates that 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester has 2 hydrogen bond donor(s) and 3 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 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester?
The CAS number of 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester is 1158-23-2.
What is the molecular formula of 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester?
The molecular formula of 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester is C16H16N2O2S.
What is the molecular weight of 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester?
The molecular weight of 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester is 300.09 g/mol.
Where can I buy 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester?
You can request a quote for 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Phenyl-thioureido)-benzoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.