methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
TL;DR: methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate (CAS 175201-79-3) 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-propan-2-ylsulfonyl-3-pyrrol-1-ylthiophene-2-carboxylate
Also Known As: Maybridge3_003338, IDI1_014725, methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate, 1-benzhydrylazetidin-3-ylmethanesulfonate, methyl 4-propan-2-ylsulfonyl-3-pyrrol-1-ylthiophene-2-carboxylate
| Molecular Formula | C13H15NO4S2 |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 2.5075 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.04425 |
| Heavy Atoms | 20 |
| Complexity | 711.6451 |
Chemical Identifiers
| CAS Number | 175201-79-3 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CSC(=C1N2C=CC=C2)C(=O)OC |
Product Overview
methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate (CAS 175201-79-3), with molecular formula C13H15NO4S2 and molecular weight 313.04 g/mol. IUPAC: methyl 4-propan-2-ylsulfonyl-3-pyrrol-1-ylthiophene-2-carboxylate.
Chemical Property Profile of methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
Property Insights of methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
The XLogP value of 2.5075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(isopropylsulfonyl)-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-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-(isopropylsulfonyl)-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-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
The CAS number of methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate is 175201-79-3.
What is the molecular formula of methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
The molecular formula of methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate is C13H15NO4S2.
What is the molecular weight of methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
The molecular weight of methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate is 313.04 g/mol.
Where can I buy methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
You can request a quote for methyl 4-(isopropylsulfonyl)-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-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.