Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
TL;DR: Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 329082-04-4) is a chemical compound with molecular formula C13H20N2O3S and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, ethyl 2-amino-5-[(diethylamino)carbonyl]-4-methylthiophene-3-carboxylate, BAS 04377960, 2-Amino-5-diethylcarbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester, 4-(2-Amino-6-methyl-pyrimidin-4-ylamino)-benzoic acid
| Molecular Formula | C13H20N2O3S |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.11948 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 329082-04-4 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)N)C(=O)OCC)C |
| InChIKey | CQFLXLZREFAIKV-UHFFFAOYSA-N |
Product Overview
Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 329082-04-4), with molecular formula C13H20N2O3S and molecular weight 284.12 g/mol. IUPAC: ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Property Insights of Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate has 1 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 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The CAS number of Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is 329082-04-4.
What is the molecular formula of Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is C13H20N2O3S.
What is the molecular weight of Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is 284.12 g/mol.
Where can I buy Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.