Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate
TL;DR: Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate (CAS 84645-58-9) is a chemical compound with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate
Also Known As: ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate, ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopr, ethyl 3-(3-amino-5-anilino-4-carbamoyl-2-thienyl)-3-oxo-propanoate, Ethyl 3-[3-amino-4-(aminocarbonyl)-5-anilino-2-thienyl]-3-oxopropanoate
| Molecular Formula | C16H17N3O4S |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 347.09396 |
| Heavy Atoms | 24 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 84645-58-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=C(C(=C(S1)NC2=CC=CC=C2)C(=O)N)N |
| InChIKey | HRTIFGJBANEDDF-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate (CAS 84645-58-9), with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol. IUPAC: ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate
Property Insights of Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate
The XLogP value of 3.2 indicates that Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate has 3 hydrogen bond donor(s) and 7 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 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate?
The CAS number of Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate is 84645-58-9.
What is the molecular formula of Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate is C16H17N3O4S.
What is the molecular weight of Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate is 347.09 g/mol.
Where can I buy Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-amino-5-anilino-4-carbamoylthiophen-2-yl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.