Ethyl 4-(3-cyclopropylthioureido)benzoate
TL;DR: Ethyl 4-(3-cyclopropylthioureido)benzoate (CAS 351165-91-8) is a chemical compound with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(cyclopropylcarbamothioylamino)benzoate
Also Known As: ethyl 4-(3-cyclopropylthioureido)benzoate, ethyl 4-(cyclopropylcarbamothioylamino)benzoate, AB00104439-01, ethyl 4-[(cyclopropylcarbamothioyl)amino]benzoate
| Molecular Formula | C13H16N2O2S |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.3121 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.09326 |
| Heavy Atoms | 18 |
| Complexity | 440.8094 |
Chemical Identifiers
| CAS Number | 351165-91-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CC2 |
Product Overview
Ethyl 4-(3-cyclopropylthioureido)benzoate (CAS 351165-91-8), with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol. IUPAC: ethyl 4-(cyclopropylcarbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-(3-cyclopropylthioureido)benzoate
Property Insights of Ethyl 4-(3-cyclopropylthioureido)benzoate
The XLogP value of 2.3121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-cyclopropylthioureido)benzoate. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl 4-(3-cyclopropylthioureido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(3-cyclopropylthioureido)benzoate 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 Ethyl 4-(3-cyclopropylthioureido)benzoate?
The CAS number of Ethyl 4-(3-cyclopropylthioureido)benzoate is 351165-91-8.
What is the molecular formula of Ethyl 4-(3-cyclopropylthioureido)benzoate?
The molecular formula of Ethyl 4-(3-cyclopropylthioureido)benzoate is C13H16N2O2S.
What is the molecular weight of Ethyl 4-(3-cyclopropylthioureido)benzoate?
The molecular weight of Ethyl 4-(3-cyclopropylthioureido)benzoate is 264.09 g/mol.
Where can I buy Ethyl 4-(3-cyclopropylthioureido)benzoate?
You can request a quote for Ethyl 4-(3-cyclopropylthioureido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3-cyclopropylthioureido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-cyclopropylthioureido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.