![methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate structure](/static/products/4778/477863-77-7.webp)
methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate
TL;DR: methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate (CAS 477863-77-7) is a chemical compound with molecular formula C12H8Cl3NO3S and molecular weight 350.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(2,2,2-trichloroacetyl)pyrrol-1-yl]thiophene-2-carboxylate
Also Known As: Bionet1_003999, DivK1c_002495, CDS1_001455, methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate, 12P-511S
| Molecular Formula | C12H8Cl3NO3S |
|---|---|
| Molecular Weight | 350.93 g/mol |
| LogP | 3.8783 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.92905 |
| Heavy Atoms | 20 |
| Complexity | 656.95184 |
Chemical Identifiers
| CAS Number | 477863-77-7 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N2C=CC=C2C(=O)C(Cl)(Cl)Cl |
Product Overview
methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate (CAS 477863-77-7), with molecular formula C12H8Cl3NO3S and molecular weight 350.93 g/mol. IUPAC: methyl 3-[2-(2,2,2-trichloroacetyl)pyrrol-1-yl]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate
Property Insights of methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate
The XLogP value of 3.8783 indicates that methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate has 0 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-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate?
The CAS number of methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate is 477863-77-7.
What is the molecular formula of methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate?
The molecular formula of methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate is C12H8Cl3NO3S.
What is the molecular weight of methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate?
The molecular weight of methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate is 350.93 g/mol.
Where can I buy methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate?
You can request a quote for methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-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-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[2-(2,2,2-trichloroacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.