![Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate structure](/static/products/5453/545365-96-6.webp)
Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate
TL;DR: Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate (CAS 545365-96-6) is a chemical compound with molecular formula C13H6F5NO3S and molecular weight 351.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2-carboxylate
Also Known As: methyl 3-(perfluorobenzamido)thiophene-2-carboxylate, methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate, methyl 3-{[(pentafluorophenyl)carbonyl]amino}thiophene-2-carboxylate, methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2-carboxylate, methyl 3-[(2,3,4,5,6-pentafluorophenyl)carbonylamino]thiophene-2-carboxylate
| Molecular Formula | C13H6F5NO3S |
|---|---|
| Molecular Weight | 351.00 g/mol |
| LogP | 3.4825 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.99884 |
| Heavy Atoms | 23 |
| Complexity | 776.14307 |
Chemical Identifiers
| CAS Number | 545365-96-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate (CAS 545365-96-6), with molecular formula C13H6F5NO3S and molecular weight 351.00 g/mol. IUPAC: methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate
Property Insights of Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate
The XLogP value of 3.4825 indicates that Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate 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-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate?
The CAS number of Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate is 545365-96-6.
What is the molecular formula of Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate?
The molecular formula of Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate is C13H6F5NO3S.
What is the molecular weight of Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate?
The molecular weight of Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate is 351.00 g/mol.
Where can I buy Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate?
You can request a quote for Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.