Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate
TL;DR: Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate (CAS 175202-45-6) is a chemical compound with molecular formula C9H12O4S2 and molecular weight 248.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-propan-2-ylsulfonylthiophene-2-carboxylate
Also Known As: Maybridge3_003803, methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate, 3,3,3TRIPHENYLPROPIONITRILE, IDI1_015190, methyl 4-propan-2-ylsulfonylthiophene-2-carboxylate
| Molecular Formula | C9H12O4S2 |
|---|---|
| Molecular Weight | 248.02 g/mol |
| LogP | 1.7168 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.0177 |
| Heavy Atoms | 15 |
| Complexity | 456.21182 |
Chemical Identifiers
| CAS Number | 175202-45-6 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CSC(=C1)C(=O)OC |
Product Overview
Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate (CAS 175202-45-6), with molecular formula C9H12O4S2 and molecular weight 248.02 g/mol. IUPAC: methyl 4-propan-2-ylsulfonylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate
Property Insights of Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate
The XLogP value of 1.7168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 4-(isopropylsulfonyl)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)thiophene-2-carboxylate?
The CAS number of Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate is 175202-45-6.
What is the molecular formula of Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate?
The molecular formula of Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate is C9H12O4S2.
What is the molecular weight of Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate?
The molecular weight of Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate is 248.02 g/mol.
Where can I buy Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate?
You can request a quote for Methyl 4-(isopropylsulfonyl)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)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(isopropylsulfonyl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.