2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate
TL;DR: 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate (CAS 59440-80-1) is a chemical compound with molecular formula C20H25N3O2S and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate
Also Known As: 2-(diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate, 2-diethylaminoethyl 4-(phenylcarbamothioylamino)benzoate, 2-(Diethylamino)ethyl 4-[(phenylcarbamothioyl)amino]benzoate
| Molecular Formula | C20H25N3O2S |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 3.9941 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.16675 |
| Heavy Atoms | 26 |
| Complexity | 700.75604 |
Chemical Identifiers
| CAS Number | 59440-80-1 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2 |
Product Overview
2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate (CAS 59440-80-1), with molecular formula C20H25N3O2S and molecular weight 371.17 g/mol. IUPAC: 2-(diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate
Property Insights of 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate
The XLogP value of 3.9941 indicates that 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate has 2 hydrogen bond donor(s) and 4 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 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate?
The CAS number of 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate is 59440-80-1.
What is the molecular formula of 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate?
The molecular formula of 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate is C20H25N3O2S.
What is the molecular weight of 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate?
The molecular weight of 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate is 371.17 g/mol.
Where can I buy 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate?
You can request a quote for 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 4-(phenylcarbamothioylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.