4-Methylphenyl thiophene-2-carboxylate
TL;DR: 4-Methylphenyl thiophene-2-carboxylate (CAS 6148-67-0) is a chemical compound with molecular formula C12H10O2S and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) thiophene-2-carboxylate
Also Known As: Regulin, 4-methylphenyl thiophene-2-carboxylate, (4-methylphenyl) thiophene-2-carboxylate, 5,7,7-trimethyloctan-1-ol, 4-methylphenyl 2-thiophenecarboxylate
| Molecular Formula | C12H10O2S |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.04015 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 6148-67-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC=CS2 |
| InChIKey | YNCUDRJCROJELR-UHFFFAOYSA-N |
Product Overview
4-Methylphenyl thiophene-2-carboxylate (CAS 6148-67-0), with molecular formula C12H10O2S and molecular weight 218.04 g/mol. IUPAC: (4-methylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 4-Methylphenyl thiophene-2-carboxylate
Property Insights of 4-Methylphenyl thiophene-2-carboxylate
The XLogP value of 3.9 indicates that 4-Methylphenyl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 4-Methylphenyl thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl thiophene-2-carboxylate 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-Methylphenyl thiophene-2-carboxylate?
The CAS number of 4-Methylphenyl thiophene-2-carboxylate is 6148-67-0.
What is the molecular formula of 4-Methylphenyl thiophene-2-carboxylate?
The molecular formula of 4-Methylphenyl thiophene-2-carboxylate is C12H10O2S.
What is the molecular weight of 4-Methylphenyl thiophene-2-carboxylate?
The molecular weight of 4-Methylphenyl thiophene-2-carboxylate is 218.04 g/mol.
Where can I buy 4-Methylphenyl thiophene-2-carboxylate?
You can request a quote for 4-Methylphenyl 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 4-Methylphenyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.