Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate
TL;DR: Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate (CAS 84645-59-0) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 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-cyanothiophen-2-yl)-3-oxopropanoate
Also Known As: ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate, ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropan
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 84645-59-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=C(C(=C(S1)NC2=CC=CC=C2)C#N)N |
| InChIKey | FFNUKQAMPOWPEP-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate (CAS 84645-59-0), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate
Property Insights of Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate
The XLogP value of 4.0 indicates that Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate has 2 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-cyanothiophen-2-yl)-3-oxopropanoate?
The CAS number of Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate is 84645-59-0.
What is the molecular formula of Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate is C16H15N3O3S.
What is the molecular weight of Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate is 329.08 g/mol.
Where can I buy Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-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-cyanothiophen-2-yl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-amino-5-anilino-4-cyanothiophen-2-yl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.