methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate
TL;DR: methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate (CAS 478077-85-9) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate
Also Known As: methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-3-carboxylate, methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate, methyl 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate, 7R-0015, BRD-K81498038-001-01-7
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.94224 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 505.3612 |
Chemical Identifiers
| CAS Number | 478077-85-9 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C=CS2)C(=O)OC)C |
Product Overview
methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate (CAS 478077-85-9), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: methyl 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate
Property Insights of methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate
The XLogP value of 2.94224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate. With a topological polar surface area (TPSA) of 31.23 Ų, methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate has 0 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 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate?
The CAS number of methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate is 478077-85-9.
What is the molecular formula of methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate?
The molecular formula of methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate is C12H13NO2S.
What is the molecular weight of methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate?
The molecular weight of methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate is 235.07 g/mol.
Where can I buy methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate?
You can request a quote for methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.