Methyl 4-acetamidocyclopent-2-ene-1-carboxylate
TL;DR: Methyl 4-acetamidocyclopent-2-ene-1-carboxylate (CAS 1228182-47-5) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-acetamidocyclopent-2-ene-1-carboxylate
Also Known As: Fenbendazole-d3, methyl 4-acetamidocyclopent-2-ene-1-carboxylate, (1R,4S)-methyl 4-acetamidocyclopent-2-enecarboxylate, Methyl 4-(acetylamino)-2-cyclopentene-1-carboxylate, Methyl(+-)-cis-4-Acetamidocyclopent-2-enecarboxylate
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 1228182-47-5 |
|---|---|
| SMILES | CC(=O)NC1CC(C=C1)C(=O)OC |
| InChIKey | NEJBWENICROWTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-acetamidocyclopent-2-ene-1-carboxylate (CAS 1228182-47-5), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: methyl 4-acetamidocyclopent-2-ene-1-carboxylate.
Chemical Property Profile of Methyl 4-acetamidocyclopent-2-ene-1-carboxylate
Property Insights of Methyl 4-acetamidocyclopent-2-ene-1-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-acetamidocyclopent-2-ene-1-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-acetamidocyclopent-2-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-acetamidocyclopent-2-ene-1-carboxylate has 1 hydrogen bond donor(s) and 3 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 4-acetamidocyclopent-2-ene-1-carboxylate?
The CAS number of Methyl 4-acetamidocyclopent-2-ene-1-carboxylate is 1228182-47-5.
What is the molecular formula of Methyl 4-acetamidocyclopent-2-ene-1-carboxylate?
The molecular formula of Methyl 4-acetamidocyclopent-2-ene-1-carboxylate is C9H13NO3.
What is the molecular weight of Methyl 4-acetamidocyclopent-2-ene-1-carboxylate?
The molecular weight of Methyl 4-acetamidocyclopent-2-ene-1-carboxylate is 183.09 g/mol.
Where can I buy Methyl 4-acetamidocyclopent-2-ene-1-carboxylate?
You can request a quote for Methyl 4-acetamidocyclopent-2-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-acetamidocyclopent-2-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-acetamidocyclopent-2-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.