![Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate structure](/static/products/5429/5429-14-1.webp)
Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate
TL;DR: Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate (CAS 5429-14-1) is a chemical compound with molecular formula C12H14N2O4S and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate
Also Known As: ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate, 4-(2-Carbamoylmercapto-acetylamino)-benzoesaeure, ethyl 4-{[(carbamoylsulfanyl)acetyl]amino}benzoate, 4-(C-Carbamoylmercapto-acetamino)-benzoesaeure, ethyl 4-({2-[(aminocarbonyl)sulfanyl]acetyl}amino)benzoate
| Molecular Formula | C12H14N2O4S |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.0674 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 5429-14-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(=O)N |
| InChIKey | PWKQMAAHOVNGHI-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate (CAS 5429-14-1), with molecular formula C12H14N2O4S and molecular weight 282.07 g/mol. IUPAC: ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate
Property Insights of Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate has 2 hydrogen bond donor(s) and 5 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-[(2-carbamoylsulfanylacetyl)amino]benzoate?
The CAS number of Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate is 5429-14-1.
What is the molecular formula of Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate?
The molecular formula of Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate is C12H14N2O4S.
What is the molecular weight of Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate?
The molecular weight of Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate is 282.07 g/mol.
Where can I buy Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate?
You can request a quote for Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]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-[(2-carbamoylsulfanylacetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2-carbamoylsulfanylacetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.