Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate
TL;DR: Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate (CAS 351165-96-3) is a chemical compound with molecular formula C15H16N2O2S2 and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate
Also Known As: BAS 02232528, ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate, AB00104199-01, ethyl 4-(3-(thiophen-2-ylmethyl)thioureido)benzoate, ethyl 4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}benzoate
| Molecular Formula | C15H16N2O2S2 |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 3.4114 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.0653 |
| Heavy Atoms | 21 |
| Complexity | 594.646 |
Chemical Identifiers
| CAS Number | 351165-96-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CS2 |
Product Overview
Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate (CAS 351165-96-3), with molecular formula C15H16N2O2S2 and molecular weight 320.07 g/mol. IUPAC: ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate
Property Insights of Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate
The XLogP value of 3.4114 indicates that Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)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 Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate?
The CAS number of Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate is 351165-96-3.
What is the molecular formula of Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate?
The molecular formula of Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate is C15H16N2O2S2.
What is the molecular weight of Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate?
The molecular weight of Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate is 320.07 g/mol.
Where can I buy Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate?
You can request a quote for Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)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-(thiophen-2-ylmethylcarbamothioylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.