4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate
TL;DR: 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate (CAS 428447-47-6) is a chemical compound with molecular formula C15H16O2S and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-4-propan-2-ylphenyl) thiophene-2-carboxylate
Also Known As: 4-isopropyl-3-methylphenyl 2-thiophenecarboxylate, (3-methyl-4-propan-2-ylphenyl) thiophene-2-carboxylate, 3-methyl-4-(methylethyl)phenyl thiophene-2-carboxylate, (3-methyl-4-propan-2-yl-phenyl) thiophene-2-carboxylate, 4-ISOPROPYL-3-METHYLPHENYL THIOPHENE-2-CARBOXYLATE
| Molecular Formula | C15H16O2S |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 4.39912 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0871 |
| Heavy Atoms | 18 |
| Complexity | 541.62616 |
Chemical Identifiers
| CAS Number | 428447-47-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(=O)C2=CC=CS2)C(C)C |
Product Overview
4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate (CAS 428447-47-6), with molecular formula C15H16O2S and molecular weight 260.09 g/mol. IUPAC: (3-methyl-4-propan-2-ylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate
Property Insights of 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate
The XLogP value of 4.39912 indicates that 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropyl-3-methylphenyl 2-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 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate?
The CAS number of 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate is 428447-47-6.
What is the molecular formula of 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate?
The molecular formula of 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate is C15H16O2S.
What is the molecular weight of 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate?
The molecular weight of 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate is 260.09 g/mol.
Where can I buy 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate?
You can request a quote for 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.