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methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 328023-40-1) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: TimTec1_004105, methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, n-Pentyl-2-hydroxy-4-methylphenylketoxim, methyl 2-(acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, J2.131.555I
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.9818 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 450.3273 |
Chemical Identifiers
| CAS Number | 328023-40-1 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=C(S1)CCC2)C(=O)OC |
Product Overview
methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 328023-40-1), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 1.9818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-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 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 328023-40-1.
What is the molecular formula of methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C11H13NO3S.
What is the molecular weight of methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 239.06 g/mol.
Where can I buy methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]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 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.