methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate
TL;DR: methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate (CAS 544435-19-0) is a chemical compound with molecular formula C19H23N3O4S and molecular weight 389.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate
Also Known As: methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-4-methyl-2-[(phenylcarbamoyl)amino]thiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-phenylureido)thiophene-3-carboxylate, methyl 2-[(anilinocarbonyl)amino]-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate, methyl 5-(N,N-diethylcarbamoyl)-4-methyl-2-[(N-phenylcarbamoyl)amino]thiophene -3-carboxylate
| Molecular Formula | C19H23N3O4S |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | 3.96912 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.14093 |
| Heavy Atoms | 27 |
| Complexity | 828.98035 |
Chemical Identifiers
| CAS Number | 544435-19-0 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)NC2=CC=CC=C2)C(=O)OC)C |
Product Overview
methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate (CAS 544435-19-0), with molecular formula C19H23N3O4S and molecular weight 389.14 g/mol. IUPAC: methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate.
Chemical Property Profile of methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate
Property Insights of methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate
The XLogP value of 3.96912 indicates that methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate 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 methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?
The CAS number of methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate is 544435-19-0.
What is the molecular formula of methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?
The molecular formula of methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate is C19H23N3O4S.
What is the molecular weight of methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?
The molecular weight of methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate is 389.14 g/mol.
Where can I buy methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?
You can request a quote for methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(diethylcarbamoyl)-4-methyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.