Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate
TL;DR: Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate (CAS 392242-86-3) is a chemical compound with molecular formula C11H17NO3S and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(pentanoylamino)-2,3-dihydrothiophene-5-carboxylate
Also Known As: IFLab1_001198, IFLab2_000261, IDI1_009065, IDI1_019287, methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate
| Molecular Formula | C11H17NO3S |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 1.8143 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.09291 |
| Heavy Atoms | 16 |
| Complexity | 312.35153 |
Chemical Identifiers
| CAS Number | 392242-86-3 |
|---|---|
| SMILES | CCCCC(=O)NC1=C(SCC1)C(=O)OC |
Product Overview
Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate (CAS 392242-86-3), with molecular formula C11H17NO3S and molecular weight 243.09 g/mol. IUPAC: methyl 4-(pentanoylamino)-2,3-dihydrothiophene-5-carboxylate.
Chemical Property Profile of Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate
Property Insights of Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate
The XLogP value of 1.8143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-pentanamido-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-pentanamido-4,5-dihydrothiophene-2-carboxylate?
The CAS number of Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate is 392242-86-3.
What is the molecular formula of Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate?
The molecular formula of Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate is C11H17NO3S.
What is the molecular weight of Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate?
The molecular weight of Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate is 243.09 g/mol.
Where can I buy Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate?
You can request a quote for Methyl 3-pentanamido-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-pentanamido-4,5-dihydrothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-pentanamido-4,5-dihydrothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.