Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate
TL;DR: Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate (CAS 392242-85-2) is a chemical compound with molecular formula C8H11NO3S and molecular weight 201.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-acetamido-2,3-dihydrothiophene-5-carboxylate
Also Known As: IFLab1_001154, IFLab2_000225, methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate, IDI1_009021, IDI1_019251
| Molecular Formula | C8H11NO3S |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 0.644 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.04596 |
| Heavy Atoms | 13 |
| Complexity | 272.5627 |
Chemical Identifiers
| CAS Number | 392242-85-2 |
|---|---|
| SMILES | CC(=O)NC1=C(SCC1)C(=O)OC |
Product Overview
Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate (CAS 392242-85-2), with molecular formula C8H11NO3S and molecular weight 201.05 g/mol. IUPAC: methyl 4-acetamido-2,3-dihydrothiophene-5-carboxylate.
Chemical Property Profile of Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate
Property Insights of Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate
The XLogP value of 0.644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 3-acetamido-4,5-dihydrothiophene-2-carboxylate?
The CAS number of Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate is 392242-85-2.
What is the molecular formula of Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate?
The molecular formula of Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate is C8H11NO3S.
What is the molecular weight of Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate?
The molecular weight of Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate is 201.05 g/mol.
Where can I buy Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate?
You can request a quote for Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-acetamido-4,5-dihydrothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.