Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate
TL;DR: Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate (CAS 175201-78-2) is a chemical compound with molecular formula C13H15NO4S2 and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-propylsulfonyl-3-pyrrol-1-ylthiophene-2-carboxylate
Also Known As: Betulindiacetate, Maybridge1_004464, methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate, methyl 4-propylsulfonyl-3-pyrrol-1-ylthiophene-2-carboxylate, I14-35140
| Molecular Formula | C13H15NO4S2 |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 2.5091 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.04425 |
| Heavy Atoms | 20 |
| Complexity | 698.8166 |
Chemical Identifiers
| CAS Number | 175201-78-2 |
|---|---|
| SMILES | CCCS(=O)(=O)C1=CSC(=C1N2C=CC=C2)C(=O)OC |
Product Overview
Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate (CAS 175201-78-2), with molecular formula C13H15NO4S2 and molecular weight 313.04 g/mol. IUPAC: methyl 4-propylsulfonyl-3-pyrrol-1-ylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate
Property Insights of Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate
The XLogP value of 2.5091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 5 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-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate?
The CAS number of Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate is 175201-78-2.
What is the molecular formula of Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate?
The molecular formula of Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate is C13H15NO4S2.
What is the molecular weight of Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate?
The molecular weight of Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate is 313.04 g/mol.
Where can I buy Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate?
You can request a quote for Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-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 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(propylsulfonyl)-3-(1h-pyrrol-1-yl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.